Molecule ID: 5281097

IUPAC Name: (3E,5Z)-6-(2-aminophenyl)-6-hydroxy-2-oxohexa-3,5-dienoic acid

Description: The molecule is a 6-oxo monocarboxylic acid that is (2E,4E)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid in whith one of the ortho positions of the phenyl ring is substituted by an amino group. It is a 6-oxo monocarboxylic acid, an amino monocarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a (2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoate.

SMILES: Nc1ccccc1/C(O)=C/C=C/C(=O)C(=O)O

SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Branch1][C][O][=C][/C][=C][/C][=Branch1][C][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C12H11NO4/c13-9-5-2-1-4-8(9)10(14)6-3-7-11(15)12(16)17/h1-7,14H,13H2,(H,16,17)/b7-3+,10-6-

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.7