Molecule ID: 4592697

IUPAC Name: 2-oxo-3-phenylpropanoate

Description: The molecule is a 2-oxo monocarboxylic acid anion resulting from deprotonation of the carboxy group of keto-phenylpyruvic acid. It has a role as a human metabolite, a chromogenic compound and a Saccharomyces cerevisiae metabolite. It is a 2-oxo monocarboxylic acid anion and a phenylpyruvate. It derives from a pyruvate. It is a conjugate base of a keto-phenylpyruvic acid.

SMILES: O=C([O-])C(=O)Cc1ccccc1

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

InChI: InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 1.9