Molecule ID: 71581093

IUPAC Name: (3S)-3-hydroxy-2-oxo-3-phenylpropanoate

Description: The molecule is a 2-oxo monocarboxylic acid anion that is the conjugate base of (S)-3-hydroxy-2-oxo-3-phenylpropanoic acid, obtained by deprotonation of the carboxy group. It is a 2-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a (S)-3-hydroxy-2-oxo-3-phenylpropanoic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 1.2