Molecule ID: 9548580

IUPAC Name: 2-hydroxy-3-(4-hydroxyphenyl)propanoate

Description: The molecule is a 2-hydroxy carboxylate that is obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)lactic acid. It has a role as a human metabolite. It is a hydroxy monocarboxylic acid anion and a 2-hydroxy carboxylate. It derives from a lactate. It is a conjugate base of a 3-(4-hydroxyphenyl)lactic acid.

SMILES: O=C(O)C(O)Cc1ccc([O-])cc1

SELFIES: [O][=C][Branch1][C][O][C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 1.4