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.

1 – 15 of 332 results

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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Specifications

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

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

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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Specifications

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

1,3-Benzodioxol-5-ylmethyl isothiocyanate, ≥95%, Thermo Scientific™

CAS: 4430-47-1 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD00041217 InChI Key: PUJWRDBPAFJUJW-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy benzyl isothiocyanate,1,3-benzodioxol-5-ylmethyl isothiocyanate,5-isothiocyanatomethyl-1,3-benzodioxole,3,4-methylenedioxybenzyl isothiocyanate,5-isothiocyanatomethyl-2h-1,3-benzodioxole,5-isothiocyanatomethyl-benzo 1,3 dioxole,5-isothiocyanatomethyl benzo d 1,3 dioxole,acmc-20angn,pubchem9883,akos bbr-002798 PubChem CID: 2795371 IUPAC Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole SMILES: S=C=NCC1=CC=C2OCOC2=C1

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Specifications

PubChem CID	2795371
CAS	4430-47-1
Molecular Weight (g/mol)	193.22
MDL Number	MFCD00041217
SMILES	S=C=NCC1=CC=C2OCOC2=C1
Synonym	3,4-methylenedioxy benzyl isothiocyanate,1,3-benzodioxol-5-ylmethyl isothiocyanate,5-isothiocyanatomethyl-1,3-benzodioxole,3,4-methylenedioxybenzyl isothiocyanate,5-isothiocyanatomethyl-2h-1,3-benzodioxole,5-isothiocyanatomethyl-benzo 1,3 dioxole,5-isothiocyanatomethyl benzo d 1,3 dioxole,acmc-20angn,pubchem9883,akos bbr-002798
IUPAC Name	5-(isothiocyanatomethyl)-1,3-benzodioxole
InChI Key	PUJWRDBPAFJUJW-UHFFFAOYSA-N
Molecular Formula	C9H7NO2S

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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Specifications

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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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

Piperonyl alcohol, 98%

CAS: 495-76-1 Molecular Formula: C₈H₈O₃ Molecular Weight (g/mol): 152.15 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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Specifications

PubChem CID	10322
CAS	495-76-1
Molecular Weight (g/mol)	152.15
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

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

2-(1,3-Benzodioxol-5-yl)ethanol, ≥97%, Thermo Scientific™

CAS: 6006-82-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00666033 InChI Key: JADSGOFBFPTCHG-UHFFFAOYSA-N Synonym: 2-benzo d 1,3 dioxol-5-yl ethanol,2-2h-1,3-benzodioxol-5-yl ethan-1-ol,3,4-methylenedioxy phenethyl alcohol,2-1,3-benzodioxol-5-yl ethanol,1,3-benzodioxole-5-ethanol,homopiperonyl alcohol,3,4-methylenedioxyphenethyl alcohol,2-1,3-benzodioxol-5-yl-ethanol,2-2h-1,3-benzodioxol-5-yl ethanol,benzodioxolylethanol PubChem CID: 2759846 IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethanol SMILES: C1OC2=C(O1)C=C(C=C2)CCO

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Specifications

PubChem CID	2759846
CAS	6006-82-2
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00666033
SMILES	C1OC2=C(O1)C=C(C=C2)CCO
Synonym	2-benzo d 1,3 dioxol-5-yl ethanol,2-2h-1,3-benzodioxol-5-yl ethan-1-ol,3,4-methylenedioxy phenethyl alcohol,2-1,3-benzodioxol-5-yl ethanol,1,3-benzodioxole-5-ethanol,homopiperonyl alcohol,3,4-methylenedioxyphenethyl alcohol,2-1,3-benzodioxol-5-yl-ethanol,2-2h-1,3-benzodioxol-5-yl ethanol,benzodioxolylethanol
IUPAC Name	2-(1,3-benzodioxol-5-yl)ethanol
InChI Key	JADSGOFBFPTCHG-UHFFFAOYSA-N
Molecular Formula	C9H10O3

Piperonylic acid hydrazide, 97%

CAS: 22026-39-7 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.163 MDL Number: MFCD00060505 InChI Key: RAXBGBHBUFGWPG-UHFFFAOYSA-N Synonym: 3,4-methylenedioxybenzhydrazide,benzo d 1,3 dioxole-5-carbohydrazide,piperonylic acid hydrazide,2h-1,3-benzodioxole-5-carbohydrazide,3,4-methylenedioxybenzoic acid hydrazide,3,4-methylenedioxy benzohydrazide,1,3-benzodioxole-5-carboxylic acid, hydrazide,3,4-methylenedioxy benzhydrazide,benzo 1,3 dioxole-5-carboxylic acid hydrazide,2h-benzo d 1,3-dioxolane-5-carbohydrazide PubChem CID: 89158 IUPAC Name: 1,3-benzodioxole-5-carbohydrazide SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NN

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Specifications

PubChem CID	89158
CAS	22026-39-7
Molecular Weight (g/mol)	180.163
MDL Number	MFCD00060505
SMILES	C1OC2=C(O1)C=C(C=C2)C(=O)NN
Synonym	3,4-methylenedioxybenzhydrazide,benzo d 1,3 dioxole-5-carbohydrazide,piperonylic acid hydrazide,2h-1,3-benzodioxole-5-carbohydrazide,3,4-methylenedioxybenzoic acid hydrazide,3,4-methylenedioxy benzohydrazide,1,3-benzodioxole-5-carboxylic acid, hydrazide,3,4-methylenedioxy benzhydrazide,benzo 1,3 dioxole-5-carboxylic acid hydrazide,2h-benzo d 1,3-dioxolane-5-carbohydrazide
IUPAC Name	1,3-benzodioxole-5-carbohydrazide
InChI Key	RAXBGBHBUFGWPG-UHFFFAOYSA-N
Molecular Formula	C8H8N2O3

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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Specifications

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

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

Pricing & Availability
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

5-Methoxypiperonal, 97%

CAS: 5780-07-4 MDL Number: MFCD00016900

Pricing & Availability
Specifications

CAS	5780-07-4
MDL Number	MFCD00016900

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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Specifications

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

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

Pricing & Availability
Specifications

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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