Molecule ID: 71581094

IUPAC Name: (3S)-3-hydroxy-2-oxo-3-phenylpropanoic acid

Description: The molecule is a 2-oxo monocarboxylic acid that is pyruvic acid in which two of the methyl hydrogens are substituted by phenyl and hydroxy groups (the S-enantiomer). It is a 2-oxo monocarboxylic acid, a 3-hydroxy monocarboxylic acid and a secondary alpha-hydroxy ketone. It derives from a pyruvic acid. It is a conjugate acid of a (S)-3-hydroxy-2-oxo-3-phenylpropanoate.

SMILES: O=C(O)C(=O)[C@@H](O)c1ccccc1

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C9H8O4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7,10H,(H,12,13)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.7