Molecule ID: 139600835

IUPAC Name: (1Z,3E)-6-hydroxy-2-methyl-5,6-dioxohexa-1,3-dien-1-olate

Description: The molecule is a 6-oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (2Z,4E)-2-hydroxy-5-methyl-6-oxohexa-2,4-dienoic acid. The major species at pH 7.3. It is a conjugate base of a (2Z,4E)-2-hydroxy-5-methyl-6-oxohexa-2,4-dienoic acid.

SMILES: CC(=C/[O-])/C=C/C(=O)C(=O)O

SELFIES: [C][C][=Branch1][Ring1][=C][/O-1][/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)/p-1/b3-2+,5-4-

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 1.5