Molecule ID: 6971070

IUPAC Name: 3-(4-hydroxyphenyl)-2-oxopropanoate

Description: The molecule is a 2-oxo monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)pyruvic acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It derives from a pyruvate. It is a conjugate base of a (4-hydroxyphenyl)pyruvic 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/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 1.3