Molecule ID: 5460086

IUPAC Name: 3-hydroxy-2-phenylpropanoate

Description: The molecule is a hydroxy monocarboxylic acid anion that results from the deprotonation of the carboxylic acid group of tropic acid. It has a role as a human xenobiotic metabolite. It derives from a propionate. It is a conjugate base of a tropic acid.

SMILES: O=C([O-])C(CO)c1ccccc1

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 1.4