3,4-(Methylenedioxy)-5-hydroxy-benzylalcohol
Basic information
- CAS
150502-45-7- Standard SMILES
OCc1cc(O)c2c(c1)OCO2- InChIKey
AIYCYODHXFCZMR-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225873
Names & identifiers
- Preferred name
- 3,4-(Methylenedioxy)-5-hydroxy-benzylalcohol
- IUPAC
- 6-(hydroxymethyl)-1,3-benzodioxol-4-ol
- English name
- 3,4-(Methylenedioxy)-5-hydroxy-benzylalcohol
- Molecular formula
- C8H8O4
- Molecular weight
- 168.15
Names & synonyms
150502-45-73,4-(Methylenedioxy)-5-hydroxy-benzylalcohol6-(Hydroxymethyl)benzo[d][1,3]dioxol-4-ol6-(hydroxymethyl)-1,3-benzodioxol-4-ol6-(HYDROXYMETHYL)-2H-1,3-BENZODIOXOL-4-OLDTXSID30649547AKOS006273719AC-139307-HYDROXY-1,3-BENZODIOXIDE-5-MATHANOL1,3-Benzodioxole-5-methanol, 7-hydroxy-
Database identifiers
- CAS
150502-45-7- PubChem CID
- 25272011
- DTXSID
DTXSID30649547
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
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Compound notes
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