Molecule ID: 10726

IUPAC Name: 3-hydroxy-2-phenylpropanoic acid

Description: The molecule is a 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group. It has a role as a human xenobiotic metabolite. It derives from a propionic acid and a hydratropic acid. It is a conjugate acid of a tropate.

SMILES: O=C(O)C(CO)c1ccccc1

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

InChI: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 0.8