Molecule ID: 70243965

IUPAC Name: (3S)-2-oxo-3-phenylbutanoic 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 methyl groups (the S-enantiomer). It derives from a pyruvic acid. It is a conjugate acid of a (3S)-3-methyl-2-oxo-3-phenylpropanoate.

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

SELFIES: [C][C@H1][Branch1][#Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C10H10O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 1.8