Molecule ID: 5280967

IUPAC Name: (2E,4Z)-2-hydroxy-7-methyl-6-oxoocta-2,4-dienoic acid

Description: The molecule is an alpha,beta-unsaturated monocarboxylic acid that is (2E,4Z)-7-methyl-2,4-octadienoic acid carrying hydroxy and oxo substituents at positions 2 and 6 respectively. It is an alpha,beta-unsaturated monocarboxylic acid, a 2-hydroxy monocarboxylic acid and a 6-oxo monocarboxylic acid. It is a conjugate acid of a (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoate.

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

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

InChI: InChI=1S/C9H12O4/c1-6(2)7(10)4-3-5-8(11)9(12)13/h3-6,11H,1-2H3,(H,12,13)/b4-3-,8-5+

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 1.3