Molecule ID: 118797970

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

Description: The molecule is a 3-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of 2-aminobenzoylacetic acid; major species at pH 7.3. It is a conjugate base of a 2-aminobenzoylacetic acid.

SMILES: Nc1ccccc1C(=O)CC(=O)[O-]

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

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

Molecular Properties:
- Polar Surface Area: 83.2 Ų
- LogP: 2.0