Benzodioxoles

Aromatic organic heterocyclic compounds that consist of a benzene containing the methylenedioxy functional group; methylenedioxy functional groups have two oxygen atoms connected to a methylene bridge.

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1,3-Benzodioxole, 99%

CAS: 274-09-9 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00005818 InChI Key: FTNJQNQLEGKTGD-UHFFFAOYSA-N Synonym: 1,2-methylenedioxybenzene,benzodioxole,benzo d 1,3 dioxole,1,3-dioxaindan,3,4-methylenedioxybenzene,2h-1,3-benzodioxole,1,2-methylenedioxy benzene,1,3-dioxindan,methylenedioxybenzene,o-methylenedioxy benzene PubChem CID: 9229 ChEBI: CHEBI:38732 IUPAC Name: 1,3-benzodioxole SMILES: C1OC2=CC=CC=C2O1

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PubChem CID	9229
CAS	274-09-9
Molecular Weight (g/mol)	122.123
ChEBI	CHEBI:38732
MDL Number	MFCD00005818
SMILES	C1OC2=CC=CC=C2O1
Synonym	1,2-methylenedioxybenzene,benzodioxole,benzo d 1,3 dioxole,1,3-dioxaindan,3,4-methylenedioxybenzene,2h-1,3-benzodioxole,1,2-methylenedioxy benzene,1,3-dioxindan,methylenedioxybenzene,o-methylenedioxy benzene
IUPAC Name	1,3-benzodioxole
InChI Key	FTNJQNQLEGKTGD-UHFFFAOYSA-N
Molecular Formula	C7H6O2

n-(1,3-benzodioxol-5-ylmethyl)-n-methylamine, 97%, Thermo Scientific™

CAS: 15205-27-3 Molecular Formula: C9H12NO2 Molecular Weight (g/mol): 166.20 MDL Number: MFCD04496422 InChI Key: CEPGPPSMCRKGFJ-UHFFFAOYSA-O Synonym: n-1,3-benzodioxol-5-ylmethyl-n-methylamine,1-1,3-benzodioxol-5-yl-n-methylmethanamine,2h-1,3-benzodioxol-5-ylmethyl methyl amine,n-methyl-3,4-methylenedioxy benzylamine,1,3-benzodioxole-5-methanamine,n-methyl,1,3-benzodioxole-5-methanamine, n-methyl,2h-1,3-benzodioxol-5-yl methyl methyl amine,1,3-benzodioxol-5-ylmethyl methylaminehydrochloride,n-methylpiperonylamine,3,4-methylenedioxy-n-methylbenzylamine PubChem CID: 421238 SMILES: C[NH2+]CC1=CC=C2OCOC2=C1

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PubChem CID	421238
CAS	15205-27-3
Molecular Weight (g/mol)	166.20
MDL Number	MFCD04496422
SMILES	C[NH2+]CC1=CC=C2OCOC2=C1
Synonym	n-1,3-benzodioxol-5-ylmethyl-n-methylamine,1-1,3-benzodioxol-5-yl-n-methylmethanamine,2h-1,3-benzodioxol-5-ylmethyl methyl amine,n-methyl-3,4-methylenedioxy benzylamine,1,3-benzodioxole-5-methanamine,n-methyl,1,3-benzodioxole-5-methanamine, n-methyl,2h-1,3-benzodioxol-5-yl methyl methyl amine,1,3-benzodioxol-5-ylmethyl methylaminehydrochloride,n-methylpiperonylamine,3,4-methylenedioxy-n-methylbenzylamine
InChI Key	CEPGPPSMCRKGFJ-UHFFFAOYSA-O
Molecular Formula	C9H12NO2

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Sesamol, 98%

CAS: 533-31-3 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.122 MDL Number: MFCD00005827 InChI Key: LUSZGTFNYDARNI-UHFFFAOYSA-N Synonym: sesamol,3,4-methylenedioxy phenol,5-hydroxy-1,3-benzodioxole,3,4-methylenedioxyphenol,2h-1,3-benzodioxol-5-ol,3,4-methylendioxyphenol,methylene ether of oxyhydroquinone,phenol, 3,4-methylenedioxy,5-benzodioxolol,unii-94iea0nv89 PubChem CID: 68289 ChEBI: CHEBI:9126 IUPAC Name: 1,3-benzodioxol-5-ol SMILES: C1OC2=C(O1)C=C(C=C2)O

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PubChem CID	68289
CAS	533-31-3
Molecular Weight (g/mol)	138.122
ChEBI	CHEBI:9126
MDL Number	MFCD00005827
SMILES	C1OC2=C(O1)C=C(C=C2)O
Synonym	sesamol,3,4-methylenedioxy phenol,5-hydroxy-1,3-benzodioxole,3,4-methylenedioxyphenol,2h-1,3-benzodioxol-5-ol,3,4-methylendioxyphenol,methylene ether of oxyhydroquinone,phenol, 3,4-methylenedioxy,5-benzodioxolol,unii-94iea0nv89
IUPAC Name	1,3-benzodioxol-5-ol
InChI Key	LUSZGTFNYDARNI-UHFFFAOYSA-N
Molecular Formula	C7H6O3

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6-Chloropiperonyl alcohol, 98%

CAS: 2591-25-5 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00051727 InChI Key: ADHYYNHCXPPVHQ-UHFFFAOYSA-N Synonym: 6-chloropiperonyl alcohol,6-chloro-2h-1,3-benzodioxol-5-yl methanol,6-chlorobenzo d 1,3 dioxol-5-yl methanol,6-chloro-1,3-benzodioxol-5-yl methanol,2-chlor-4,5-methylendioxy-benzylalkohol,6-chloro-3,4-methylenedioxybenzyl alcohol,6-chloro-2h-benzo d 1,3-dioxolen-5-yl methan-1-ol PubChem CID: 7015319 IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methanol SMILES: C1OC2=C(O1)C=C(C(=C2)CO)Cl

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PubChem CID	7015319
CAS	2591-25-5
Molecular Weight (g/mol)	186.591
MDL Number	MFCD00051727
SMILES	C1OC2=C(O1)C=C(C(=C2)CO)Cl
Synonym	6-chloropiperonyl alcohol,6-chloro-2h-1,3-benzodioxol-5-yl methanol,6-chlorobenzo d 1,3 dioxol-5-yl methanol,6-chloro-1,3-benzodioxol-5-yl methanol,2-chlor-4,5-methylendioxy-benzylalkohol,6-chloro-3,4-methylenedioxybenzyl alcohol,6-chloro-2h-benzo d 1,3-dioxolen-5-yl methan-1-ol
IUPAC Name	(6-chloro-1,3-benzodioxol-5-yl)methanol
InChI Key	ADHYYNHCXPPVHQ-UHFFFAOYSA-N
Molecular Formula	C8H7ClO3

Berberine chloride

CAS: 633-65-8 Molecular Formula: C20H18ClNO4 Molecular Weight (g/mol): 371.817 MDL Number: MFCD00011939 InChI Key: VKJGBAJNNALVAV-UHFFFAOYSA-M Synonym: berberine chloride,berberine hydrochloride,natural yellow 18,benzodioxide,berberinium chloride,berberine hcl,unii-uot4o1byv8,berberine chloride jan,uot4o1byv8 PubChem CID: 12456 ChEBI: CHEBI:31271 SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]

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Specifications

PubChem CID	12456
CAS	633-65-8
Molecular Weight (g/mol)	371.817
ChEBI	CHEBI:31271
MDL Number	MFCD00011939
SMILES	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]
Synonym	berberine chloride,berberine hydrochloride,natural yellow 18,benzodioxide,berberinium chloride,berberine hcl,unii-uot4o1byv8,berberine chloride jan,uot4o1byv8
InChI Key	VKJGBAJNNALVAV-UHFFFAOYSA-M
Molecular Formula	C20H18ClNO4

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3',4'-(Methylenedioxy)acetophenone, 98%

CAS: 3162-29-6 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00005831 InChI Key: BMHMKWXYXFBWMI-UHFFFAOYSA-N Synonym: 3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl PubChem CID: 76622 IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)OCO2

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PubChem CID	76622
CAS	3162-29-6
Molecular Weight (g/mol)	164.16
MDL Number	MFCD00005831
SMILES	CC(=O)C1=CC2=C(C=C1)OCO2
Synonym	3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl
IUPAC Name	1-(1,3-benzodioxol-5-yl)ethanone
InChI Key	BMHMKWXYXFBWMI-UHFFFAOYSA-N
Molecular Formula	C9H8O3

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3,4-Methylenedioxyacetophenone, 98%

CAS: 3162-29-6 Molecular Formula: C₉H₈O₃ Molecular Weight (g/mol): 164.16 MDL Number: MFCD00005831 InChI Key: BMHMKWXYXFBWMI-UHFFFAOYSA-N Synonym: 3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl PubChem CID: 76622 IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)OCO2

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PubChem CID	76622
CAS	3162-29-6
Molecular Weight (g/mol)	164.16
MDL Number	MFCD00005831
SMILES	CC(=O)C1=CC2=C(C=C1)OCO2
Synonym	3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl
IUPAC Name	1-(1,3-benzodioxol-5-yl)ethanone
InChI Key	BMHMKWXYXFBWMI-UHFFFAOYSA-N
Molecular Formula	C₉H₈O₃

5-(2-Chloroethyl)-1,3-benzodioxole, ≥97%, Thermo Scientific™

CAS: 23808-46-0 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD08435910 InChI Key: YFVIYUCTLBXCMJ-UHFFFAOYSA-N Synonym: 5-2-chloroethyl-1,3-benzodioxole,5-2-chloroethyl-2h-1,3-benzodioxole,1,3-benzodioxole,5-2-chloroethyl,4-2-chloroethyl-1,2-methylenedioxybenzene,5-2-chloroethyl-2h-benzo d 1,3-dioxolene PubChem CID: 15815969 IUPAC Name: 5-(2-chloroethyl)-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)CCCl

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Specifications

PubChem CID	15815969
CAS	23808-46-0
Molecular Weight (g/mol)	184.619
MDL Number	MFCD08435910
SMILES	C1OC2=C(O1)C=C(C=C2)CCCl
Synonym	5-2-chloroethyl-1,3-benzodioxole,5-2-chloroethyl-2h-1,3-benzodioxole,1,3-benzodioxole,5-2-chloroethyl,4-2-chloroethyl-1,2-methylenedioxybenzene,5-2-chloroethyl-2h-benzo d 1,3-dioxolene
IUPAC Name	5-(2-chloroethyl)-1,3-benzodioxole
InChI Key	YFVIYUCTLBXCMJ-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

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Piperonyl butoxide, tech. 90%

CAS: 51-03-6 Molecular Formula: C19H30O5 Molecular Weight (g/mol): 338.44 MDL Number: MFCD00005842 InChI Key: FIPWRIJSWJWJAI-UHFFFAOYSA-N Synonym: piperonyl butoxide,butacide,butocide,ethanol butoxide,pyrenone 606,piperonylbutoxide,6-propylpiperonyl butyl diethylene glycol ether,butyl carbitol 6-propylpiperonyl ether,5-2-2-butoxyethoxy ethoxy methyl-6-propylbenzo d 1,3 dioxole,butoxide synergist PubChem CID: 5794 ChEBI: CHEBI:32687 SMILES: CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC

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PubChem CID	5794
CAS	51-03-6
Molecular Weight (g/mol)	338.44
ChEBI	CHEBI:32687
MDL Number	MFCD00005842
SMILES	CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC
Synonym	piperonyl butoxide,butacide,butocide,ethanol butoxide,pyrenone 606,piperonylbutoxide,6-propylpiperonyl butyl diethylene glycol ether,butyl carbitol 6-propylpiperonyl ether,5-2-2-butoxyethoxy ethoxy methyl-6-propylbenzo d 1,3 dioxole,butoxide synergist
InChI Key	FIPWRIJSWJWJAI-UHFFFAOYSA-N
Molecular Formula	C19H30O5

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5-Amino-2,2-difluoro-1,3-benzodioxole, 97+%

CAS: 1544-85-0 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.119 MDL Number: MFCD00190144 InChI Key: CVYQRDKVWVBOFP-UHFFFAOYSA-N Synonym: 2,2-difluoro-5-aminobenzodioxole,2,2-difluorobenzo d 1,3 dioxol-5-amine,2,2-difluoro-5-amino-1,3-benzodioxole,5-amino-2,2-difluorobenzodioxole,5-amino-2,2-difluoro-1,3-benzodioxole,2,2-difluoro-2h-1,3-benzodioxol-5-amine,1,3-benzodioxol-5-amine, 2,2-difluoro,3,4-difluoromethylenedioxy aniline,3,4-difluoromethylene dioxy aniline,2,2-difluoro-benzo 1,3 dioxol-5-ylamine PubChem CID: 2736893 IUPAC Name: 2,2-difluoro-1,3-benzodioxol-5-amine SMILES: C1=CC2=C(C=C1N)OC(O2)(F)F

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Specifications

PubChem CID	2736893
CAS	1544-85-0
Molecular Weight (g/mol)	173.119
MDL Number	MFCD00190144
SMILES	C1=CC2=C(C=C1N)OC(O2)(F)F
Synonym	2,2-difluoro-5-aminobenzodioxole,2,2-difluorobenzo d 1,3 dioxol-5-amine,2,2-difluoro-5-amino-1,3-benzodioxole,5-amino-2,2-difluorobenzodioxole,5-amino-2,2-difluoro-1,3-benzodioxole,2,2-difluoro-2h-1,3-benzodioxol-5-amine,1,3-benzodioxol-5-amine, 2,2-difluoro,3,4-difluoromethylenedioxy aniline,3,4-difluoromethylene dioxy aniline,2,2-difluoro-benzo 1,3 dioxol-5-ylamine
IUPAC Name	2,2-difluoro-1,3-benzodioxol-5-amine
InChI Key	CVYQRDKVWVBOFP-UHFFFAOYSA-N
Molecular Formula	C7H5F2NO2

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3,4-(Methylenedioxy)benzylideneacetone, 98%

CAS: 3160-37-0 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00016907 InChI Key: XIYPXOFSURQTTJ-NSCUHMNNSA-N Synonym: piperonalacetone,heliotropyl acetone,acetone, piperonylidene,piperonylideneacetone,piperonylidene acetone,unii-t43byj64eg,3-buten-2-one, 4-1,3-benzodioxol-5-yl,ccris 6270,3,4-methylenedioxy benzalacetone,3,4-methylenedioxy benzylideneacetone PubChem CID: 6040503 IUPAC Name: (E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC2=C(C=C1)OCO2

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PubChem CID	6040503
CAS	3160-37-0
Molecular Weight (g/mol)	190.198
MDL Number	MFCD00016907
SMILES	CC(=O)C=CC1=CC2=C(C=C1)OCO2
Synonym	piperonalacetone,heliotropyl acetone,acetone, piperonylidene,piperonylideneacetone,piperonylidene acetone,unii-t43byj64eg,3-buten-2-one, 4-1,3-benzodioxol-5-yl,ccris 6270,3,4-methylenedioxy benzalacetone,3,4-methylenedioxy benzylideneacetone
IUPAC Name	(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
InChI Key	XIYPXOFSURQTTJ-NSCUHMNNSA-N
Molecular Formula	C11H10O3

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4-(3,4-Methylenedioxy)phenyl-2-butanone, 98%

CAS: 55418-52-5 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00016910 InChI Key: TZJLGGWGVLADDN-UHFFFAOYSA-N Synonym: piperonyl acetone,piperonylacetone,4-3,4-methylenedioxyphenyl-2-butanone,4-1,3-benzodioxol-5-yl-2-butanone,4-1,3-benzodioxol-5-yl butan-2-one,2-butanone, 4-1,3-benzodioxol-5-yl,unii-081vvc9h34,fema no. 2701,3,4-methylenedioxybenzylacetone,4-benzo d 1,3 dioxol-5-yl butan-2-one PubChem CID: 62098 IUPAC Name: 4-(1,3-benzodioxol-5-yl)butan-2-one SMILES: CC(=O)CCC1=CC2=C(C=C1)OCO2

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Specifications

PubChem CID	62098
CAS	55418-52-5
Molecular Weight (g/mol)	192.214
MDL Number	MFCD00016910
SMILES	CC(=O)CCC1=CC2=C(C=C1)OCO2
Synonym	piperonyl acetone,piperonylacetone,4-3,4-methylenedioxyphenyl-2-butanone,4-1,3-benzodioxol-5-yl-2-butanone,4-1,3-benzodioxol-5-yl butan-2-one,2-butanone, 4-1,3-benzodioxol-5-yl,unii-081vvc9h34,fema no. 2701,3,4-methylenedioxybenzylacetone,4-benzo d 1,3 dioxol-5-yl butan-2-one
IUPAC Name	4-(1,3-benzodioxol-5-yl)butan-2-one
InChI Key	TZJLGGWGVLADDN-UHFFFAOYSA-N
Molecular Formula	C11H12O3

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Piperonylic acid, 98+%

CAS: 94-53-1 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00005830 InChI Key: VDVJGIYXDVPQLP-UHFFFAOYSA-N Synonym: piperonylic acid,heliotropic acid,3,4-methylenedioxybenzoic acid,benzo d 1,3 dioxole-5-carboxylic acid,2h-1,3-benzodioxole-5-carboxylic acid,benzo 1,3 dioxole-5-carboxylic acid,protocatechuic acid methylene ether,5-benzodioxolecarboxylic acid,3,4-dioxymethylenebenzoic acid,3,4-methylene dioxybenzoic acid PubChem CID: 7196 IUPAC Name: 1,3-benzodioxole-5-carboxylic acid SMILES: OC(=O)C1=CC=C2OCOC2=C1

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Specifications

PubChem CID	7196
CAS	94-53-1
Molecular Weight (g/mol)	166.13
MDL Number	MFCD00005830
SMILES	OC(=O)C1=CC=C2OCOC2=C1
Synonym	piperonylic acid,heliotropic acid,3,4-methylenedioxybenzoic acid,benzo d 1,3 dioxole-5-carboxylic acid,2h-1,3-benzodioxole-5-carboxylic acid,benzo 1,3 dioxole-5-carboxylic acid,protocatechuic acid methylene ether,5-benzodioxolecarboxylic acid,3,4-dioxymethylenebenzoic acid,3,4-methylene dioxybenzoic acid
IUPAC Name	1,3-benzodioxole-5-carboxylic acid
InChI Key	VDVJGIYXDVPQLP-UHFFFAOYSA-N
Molecular Formula	C8H6O4

1,3-Benzodioxole-4-carboxylic acid, ≥97%, Thermo Scientific™

CAS: 5768-39-8 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.132 MDL Number: MFCD01076411 InChI Key: DBUAYOWCIUQXQW-UHFFFAOYSA-N Synonym: benzo d 1,3 dioxole-4-carboxylic acid,2h-1,3-benzodioxole-4-carboxylic acid,1,3-benzodioxole-4-carboxylicacid,2,3-methylenedioxybenzoic acid,2,3-methylenedioxy benzoic acid,o-piperonylic acid,2-methylenedioxybenzoic acid,4-carboxy-1,3-benzodioxole,1-carboxy-methylenedioxybenzene,benzo 1,3 dioxole-4-carboxylic acid PubChem CID: 304832 IUPAC Name: 1,3-benzodioxole-4-carboxylic acid SMILES: C1OC2=CC=CC(=C2O1)C(=O)O

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Specifications

PubChem CID	304832
CAS	5768-39-8
Molecular Weight (g/mol)	166.132
MDL Number	MFCD01076411
SMILES	C1OC2=CC=CC(=C2O1)C(=O)O
Synonym	benzo d 1,3 dioxole-4-carboxylic acid,2h-1,3-benzodioxole-4-carboxylic acid,1,3-benzodioxole-4-carboxylicacid,2,3-methylenedioxybenzoic acid,2,3-methylenedioxy benzoic acid,o-piperonylic acid,2-methylenedioxybenzoic acid,4-carboxy-1,3-benzodioxole,1-carboxy-methylenedioxybenzene,benzo 1,3 dioxole-4-carboxylic acid
IUPAC Name	1,3-benzodioxole-4-carboxylic acid
InChI Key	DBUAYOWCIUQXQW-UHFFFAOYSA-N
Molecular Formula	C8H6O4

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3,4-(Methylenedioxy)phenylacetonitrile, 98+%

CAS: 4439-02-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005835 InChI Key: ZQPBOYASBNAXOZ-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy phenylacetonitrile,1,3-benzodioxole-5-acetonitrile,3,4-methylenedioxyphenylacetonitrile,2-benzo d 1,3 dioxol-5-yl acetonitrile,3,4-methylenedioxybenzyl cyanide,2-2h-1,3-benzodioxol-5-yl acetonitrile,1,3-benzodioxol-5-ylacetonitrile,2-1,3-benzodioxol-5-yl acetonitrile,3,4-methylenedioxybenzylcyanide,homopiperonylonitrile PubChem CID: 78178 IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetonitrile SMILES: C1OC2=C(O1)C=C(C=C2)CC#N

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Specifications

PubChem CID	78178
CAS	4439-02-5
Molecular Weight (g/mol)	161.16
MDL Number	MFCD00005835
SMILES	C1OC2=C(O1)C=C(C=C2)CC#N
Synonym	3,4-methylenedioxy phenylacetonitrile,1,3-benzodioxole-5-acetonitrile,3,4-methylenedioxyphenylacetonitrile,2-benzo d 1,3 dioxol-5-yl acetonitrile,3,4-methylenedioxybenzyl cyanide,2-2h-1,3-benzodioxol-5-yl acetonitrile,1,3-benzodioxol-5-ylacetonitrile,2-1,3-benzodioxol-5-yl acetonitrile,3,4-methylenedioxybenzylcyanide,homopiperonylonitrile
IUPAC Name	2-(1,3-benzodioxol-5-yl)acetonitrile
InChI Key	ZQPBOYASBNAXOZ-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

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