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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2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 656-46-2 Molecular Formula: C₈H₄F₂O₄ Molecular Weight (g/mol): 202.12 InChI Key: VJLDRFCNFNQTTH-UHFFFAOYSA-N Synonym: 2,2-difluorobenzo d 1,3 dioxole-5-carboxylic acid,2,2-difluoro-2h-1,3-benzodioxole-5-carboxylic acid,2,2-difluorobenzodioxole-5-carboxylic acid,2,2-difluoro-benzo 1,3 dioxole-5-carboxylic acid,3,4-difluoromethylenedioxy benzoic acid,acmc-209nrl,5-carboxy-2,2-difluoro-1,3-benzodioxole,2,2-difluorobenzo-1,3dioxole-5-carboxylic acid,2,2-difluorobenzo 1,3 dioxol-5-carboxylic acid,2,2-difluoro-benzo 1,3 dioxol-5-carboxylic acid PubChem CID: 608772 IUPAC Name: 2,2-difluoro-1,3-benzodioxole-5-carboxylic acid SMILES: C1=CC2=C(C=C1C(=O)O)OC(O2)(F)F

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PubChem CID	608772
CAS	656-46-2
Molecular Weight (g/mol)	202.12
SMILES	C1=CC2=C(C=C1C(=O)O)OC(O2)(F)F
Synonym	2,2-difluorobenzo d 1,3 dioxole-5-carboxylic acid,2,2-difluoro-2h-1,3-benzodioxole-5-carboxylic acid,2,2-difluorobenzodioxole-5-carboxylic acid,2,2-difluoro-benzo 1,3 dioxole-5-carboxylic acid,3,4-difluoromethylenedioxy benzoic acid,acmc-209nrl,5-carboxy-2,2-difluoro-1,3-benzodioxole,2,2-difluorobenzo-1,3dioxole-5-carboxylic acid,2,2-difluorobenzo 1,3 dioxol-5-carboxylic acid,2,2-difluoro-benzo 1,3 dioxol-5-carboxylic acid
IUPAC Name	2,2-difluoro-1,3-benzodioxole-5-carboxylic acid
InChI Key	VJLDRFCNFNQTTH-UHFFFAOYSA-N
Molecular Formula	C₈H₄F₂O₄

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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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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5-Chloro-1,3-benzodioxole, 98%

CAS: 7228-38-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00010842 InChI Key: ODQPZHOXLYATLC-UHFFFAOYSA-N PubChem CID: 138966 IUPAC Name: 5-chloro-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)Cl

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PubChem CID	138966
CAS	7228-38-8
Molecular Weight (g/mol)	156.565
MDL Number	MFCD00010842
SMILES	C1OC2=C(O1)C=C(C=C2)Cl
IUPAC Name	5-chloro-1,3-benzodioxole
InChI Key	ODQPZHOXLYATLC-UHFFFAOYSA-N
Molecular Formula	C7H5ClO2

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5-Methoxypiperonal, 97%

CAS: 5780-07-4 MDL Number: MFCD00016900

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Specifications

CAS	5780-07-4
MDL Number	MFCD00016900

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Piperonylic acid, 99%

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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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

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

CAS: 106876-54-4 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.12 MDL Number: MFCD00792416 InChI Key: RXIKYXZKSIARLN-UHFFFAOYSA-N Synonym: 4-amino-2,2-difluoro-1,3-benzodioxole,2,2-difluorobenzo d 1,3 dioxol-4-amine,2,3-difluoromethylenedioxy aniline,2,2-difluoro-4-amino-1,3-benzodioxole,1,3-benzodioxol-4-amine, 2,2-difluoro,2,2-difluoro-2h-1,3-benzodioxol-4-amine,2,2-difluoro-benzo 1,3 dioxol-4-ylamine,2,3-difluoromethylenedioxy-aniline,acmc-1btze,2,2-difluoro-1,3-benzodioxole-4-amine PubChem CID: 2736891 IUPAC Name: 2,2-difluoro-2H-1,3-benzodioxol-4-amine SMILES: NC1=CC=CC2=C1OC(F)(F)O2

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PubChem CID	2736891
CAS	106876-54-4
Molecular Weight (g/mol)	173.12
MDL Number	MFCD00792416
SMILES	NC1=CC=CC2=C1OC(F)(F)O2
Synonym	4-amino-2,2-difluoro-1,3-benzodioxole,2,2-difluorobenzo d 1,3 dioxol-4-amine,2,3-difluoromethylenedioxy aniline,2,2-difluoro-4-amino-1,3-benzodioxole,1,3-benzodioxol-4-amine, 2,2-difluoro,2,2-difluoro-2h-1,3-benzodioxol-4-amine,2,2-difluoro-benzo 1,3 dioxol-4-ylamine,2,3-difluoromethylenedioxy-aniline,acmc-1btze,2,2-difluoro-1,3-benzodioxole-4-amine
IUPAC Name	2,2-difluoro-2H-1,3-benzodioxol-4-amine
InChI Key	RXIKYXZKSIARLN-UHFFFAOYSA-N
Molecular Formula	C7H5F2NO2

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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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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

1-(1,3-Benzodioxol-5-yl)-2-bromoethan-1-one, Thermo Scientific™

CAS: 40288-65-1 Molecular Formula: C9H7BrO3 Molecular Weight (g/mol): 243.056 InChI Key: QBXCVQVFPVXAGS-UHFFFAOYSA-N PubChem CID: 243777 IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-bromoethanone SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)CBr

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Specifications

PubChem CID	243777
CAS	40288-65-1
Molecular Weight (g/mol)	243.056
SMILES	C1OC2=C(O1)C=C(C=C2)C(=O)CBr
IUPAC Name	1-(1,3-benzodioxol-5-yl)-2-bromoethanone
InChI Key	QBXCVQVFPVXAGS-UHFFFAOYSA-N
Molecular Formula	C9H7BrO3

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3,4-(Methylenedioxy)benzyl alcohol, 98%

CAS: 495-76-1 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00005836 InChI Key: BHUIUXNAPJIDOG-UHFFFAOYSA-N Synonym: piperonyl alcohol,piperonol,1,3-benzodioxole-5-methanol,3,4-methylenedioxybenzyl alcohol,benzo d 1,3 dioxol-5-ylmethanol,piperonylalcohol,5-hydroxymethyl-1,3-benzodioxole,1-hydroxymethyl-3,4-methylenedioxybenzene,benzo 1,3 dioxol-5-ylmethanol,3,4-methylenedioxy phenylmethanol PubChem CID: 10322 IUPAC Name: 1,3-benzodioxol-5-ylmethanol SMILES: C1OC2=C(O1)C=C(C=C2)CO

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PubChem CID	10322
CAS	495-76-1
Molecular Weight (g/mol)	152.149
MDL Number	MFCD00005836
SMILES	C1OC2=C(O1)C=C(C=C2)CO
Synonym	piperonyl alcohol,piperonol,1,3-benzodioxole-5-methanol,3,4-methylenedioxybenzyl alcohol,benzo d 1,3 dioxol-5-ylmethanol,piperonylalcohol,5-hydroxymethyl-1,3-benzodioxole,1-hydroxymethyl-3,4-methylenedioxybenzene,benzo 1,3 dioxol-5-ylmethanol,3,4-methylenedioxy phenylmethanol
IUPAC Name	1,3-benzodioxol-5-ylmethanol
InChI Key	BHUIUXNAPJIDOG-UHFFFAOYSA-N
Molecular Formula	C8H8O3

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5-Bromo-2,2-difluoro-1,3-benzodioxole, 97%

CAS: 33070-32-5 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237 MDL Number: MFCD00236212 InChI Key: SZRHWHHXVXSGMT-UHFFFAOYSA-N Synonym: 5-bromo-2,2-difluorobenzodioxole,5-bromo-2,2-difluoro-2h-1,3-benzodioxole,5-bromo-2,2-difluorobenzo d 1,3 dioxole,5-bromo-2,2-difluoro-benzo 1,3 dioxole,1,3-benzodioxole, 5-bromo-2,2-difluoro,4-bromo-1,2-difluoromethylenedioxy benzene,5-bromo-2,2-difluorobenzo d 1,3-dioxolene,acmc-209hy8,5-bromo2,2-difluoro-1,3-benzodioxole,2,2-difluoro-5-bromo-1,3-benzodioxole PubChem CID: 2736271 IUPAC Name: 5-bromo-2,2-difluoro-1,3-benzodioxole SMILES: C1=CC2=C(C=C1Br)OC(O2)(F)F

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PubChem CID	2736271
CAS	33070-32-5
Molecular Weight (g/mol)	237
MDL Number	MFCD00236212
SMILES	C1=CC2=C(C=C1Br)OC(O2)(F)F
Synonym	5-bromo-2,2-difluorobenzodioxole,5-bromo-2,2-difluoro-2h-1,3-benzodioxole,5-bromo-2,2-difluorobenzo d 1,3 dioxole,5-bromo-2,2-difluoro-benzo 1,3 dioxole,1,3-benzodioxole, 5-bromo-2,2-difluoro,4-bromo-1,2-difluoromethylenedioxy benzene,5-bromo-2,2-difluorobenzo d 1,3-dioxolene,acmc-209hy8,5-bromo2,2-difluoro-1,3-benzodioxole,2,2-difluoro-5-bromo-1,3-benzodioxole
IUPAC Name	5-bromo-2,2-difluoro-1,3-benzodioxole
InChI Key	SZRHWHHXVXSGMT-UHFFFAOYSA-N
Molecular Formula	C7H3BrF2O2

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2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid, 97+%

CAS: 656-46-2 Molecular Formula: C8H4F2O4 Molecular Weight (g/mol): 202.113 MDL Number: MFCD00792417 InChI Key: VJLDRFCNFNQTTH-UHFFFAOYSA-N Synonym: 2,2-difluorobenzo d 1,3 dioxole-5-carboxylic acid,2,2-difluoro-2h-1,3-benzodioxole-5-carboxylic acid,2,2-difluorobenzodioxole-5-carboxylic acid,2,2-difluoro-benzo 1,3 dioxole-5-carboxylic acid,3,4-difluoromethylenedioxy benzoic acid,acmc-209nrl,5-carboxy-2,2-difluoro-1,3-benzodioxole,2,2-difluorobenzo-1,3dioxole-5-carboxylic acid,2,2-difluorobenzo 1,3 dioxol-5-carboxylic acid,2,2-difluoro-benzo 1,3 dioxol-5-carboxylic acid PubChem CID: 608772 IUPAC Name: 2,2-difluoro-1,3-benzodioxole-5-carboxylic acid SMILES: C1=CC2=C(C=C1C(=O)O)OC(O2)(F)F

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PubChem CID	608772
CAS	656-46-2
Molecular Weight (g/mol)	202.113
MDL Number	MFCD00792417
SMILES	C1=CC2=C(C=C1C(=O)O)OC(O2)(F)F
Synonym	2,2-difluorobenzo d 1,3 dioxole-5-carboxylic acid,2,2-difluoro-2h-1,3-benzodioxole-5-carboxylic acid,2,2-difluorobenzodioxole-5-carboxylic acid,2,2-difluoro-benzo 1,3 dioxole-5-carboxylic acid,3,4-difluoromethylenedioxy benzoic acid,acmc-209nrl,5-carboxy-2,2-difluoro-1,3-benzodioxole,2,2-difluorobenzo-1,3dioxole-5-carboxylic acid,2,2-difluorobenzo 1,3 dioxol-5-carboxylic acid,2,2-difluoro-benzo 1,3 dioxol-5-carboxylic acid
IUPAC Name	2,2-difluoro-1,3-benzodioxole-5-carboxylic acid
InChI Key	VJLDRFCNFNQTTH-UHFFFAOYSA-N
Molecular Formula	C8H4F2O4

4-(4-Methyl-1,3-dioxolan-2-yl)-1,2-methylenedioxybenzene 98.0+%, TCI America™

CAS: 61683-99-6 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD13194964 InChI Key: HXNSADTWQWLFCB-UHFFFAOYSA-N Synonym: 5-(4-Methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole, Piperonal Propylene Glycol Acetal PubChem CID: 101144 IUPAC Name: 5-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole SMILES: CC1COC(O1)C2=CC3=C(C=C2)OCO3

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Specifications

PubChem CID	101144
CAS	61683-99-6
Molecular Weight (g/mol)	208.213
MDL Number	MFCD13194964
SMILES	CC1COC(O1)C2=CC3=C(C=C2)OCO3
Synonym	5-(4-Methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole, Piperonal Propylene Glycol Acetal
IUPAC Name	5-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole
InChI Key	HXNSADTWQWLFCB-UHFFFAOYSA-N
Molecular Formula	C11H12O4

3,4-Methylenedioxynitrobenzene 98.0+%, TCI America™

CAS: 2620-44-2 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00005824 InChI Key: SNWQAKNKGGOVMO-UHFFFAOYSA-N Synonym: 5-nitrobenzo d 1,3 dioxole,1,2-methylenedioxy-4-nitrobenzene,3,4-methylenedioxynitrobenzene,1,3-benzodioxole, 5-nitro,methylenedioxynitrobenzene,5-nitrobenzodioxole,3,4-methylenedioxy-1-nitrobenzene,5-nitro-2h-1,3-benzodioxole,benzene, 1,2-methylenedioxy-4-nitro PubChem CID: 75798 IUPAC Name: 5-nitro-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)[N+](=O)[O-]

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PubChem CID	75798
CAS	2620-44-2
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00005824
SMILES	C1OC2=C(O1)C=C(C=C2)[N+](=O)[O-]
Synonym	5-nitrobenzo d 1,3 dioxole,1,2-methylenedioxy-4-nitrobenzene,3,4-methylenedioxynitrobenzene,1,3-benzodioxole, 5-nitro,methylenedioxynitrobenzene,5-nitrobenzodioxole,3,4-methylenedioxy-1-nitrobenzene,5-nitro-2h-1,3-benzodioxole,benzene, 1,2-methylenedioxy-4-nitro
IUPAC Name	5-nitro-1,3-benzodioxole
InChI Key	SNWQAKNKGGOVMO-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

1,2-Methylenedioxybenzene 99.0+%, TCI America™

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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Specifications

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

Sesamol 98.0+%, TCI America™

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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Specifications

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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