Molecule ID: 119618

IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetic acid

Description: The molecule is a 2-hydroxy monocarboxylic acid that is mandelic acid in which positions 3 and 4 on the benzene ring are substituted by a methylenedioxy group. It has a role as a metabolite. It is a 2-hydroxy monocarboxylic acid and a member of benzodioxoles. It derives from a mandelic acid.

SMILES: O=C(O)C(O)c1ccc2c(c1)OCO2

SELFIES: [O][=C][Branch1][C][O][C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]

InChI: InChI=1S/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 0.8