Molecule ID: 56927676

IUPAC Name: (3Z,5Z)-6-(4-chlorophenyl)-6-hydroxy-2-oxohexa-3,5-dienoic acid

Description: The molecule is a 2-hydroxy monocarboxylic acid formed by biodegradative cleavage of the dihydroxylated aromatic ring of 2,3-dihydroxybiphenyl. It is a 6-oxo monocarboxylic acid, a 2-hydroxy monocarboxylic acid, an alpha,beta-unsaturated monocarboxylic acid and a member of monochlorobenzenes. It derives from a sorbic acid.

SMILES: O=C(O)C(=O)/C=C\C=C(/O)c1ccc(Cl)cc1

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][/C][=C][\C][=C][Branch1][C][/O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C12H9ClO4/c13-9-6-4-8(5-7-9)10(14)2-1-3-11(15)12(16)17/h1-7,14H,(H,16,17)/b3-1-,10-2-

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 2.5