Molecule ID: 44147549

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

Description: The molecule is a muconic semialdehyde compound having a hydroxy substituent at the 2-position and a methyl substituent at the 5-position. It is a muconic semialdehyde and an alpha,beta-unsaturated monocarboxylic acid.

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

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

InChI: InChI=1S/C7H8O4/c1-5(4-8)2-3-6(9)7(10)11/h2-4,8H,1H3,(H,10,11)/b3-2+,5-4-

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.8