Molecule ID: 137333843

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

Description: The molecule is a 2-oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 3-(4-aminophenyl)pyruvic acid. Major species at pH 7.3. It derives from a pyruvate. It is a conjugate base of a 3-(4-aminophenyl)pyruvic acid.

SMILES: Nc1ccc(CC(=O)C(=O)[O-])cc1

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

InChI: InChI=1S/C9H9NO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5,10H2,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 83.2 Ų
- LogP: 1.2