Molecule ID: 20839721

IUPAC Name: (2Z,4E)-2-hydroxy-6-oxonona-2,4-dienoic acid

Description: The molecule is an alpha,beta-unsaturated monocarboxylic acid that is nona-2,4-dienoic acid carrying hydroxy and oxo substituents at positions 2 and 6 respectively. It has a role as a bacterial xenobiotic metabolite. It is a 6-oxo monocarboxylic acid, a 2-hydroxy monocarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a 2-hydroxy-6-oxo-nona-2,4-dienoate.

SMILES: CCCC(=O)/C=C/C=C(\O)C(=O)O

SELFIES: [C][C][C][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][C][\O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H12O4/c1-2-4-7(10)5-3-6-8(11)9(12)13/h3,5-6,11H,2,4H2,1H3,(H,12,13)/b5-3+,8-6-

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 1.0