Molecule ID: 979

IUPAC Name: 3-(4-hydroxyphenyl)-2-oxopropanoic acid

Description: The molecule is an oxo carboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. It has a role as a human metabolite. It is an oxo carboxylic acid and a member of phenols. It derives from a pyruvic acid. It is a conjugate acid of a 3-(4-hydroxyphenyl)pyruvate.

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][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.9