Molecule ID: 25245524

IUPAC Name: (1E,4E)-6-hydroxy-3,6-dioxohexa-1,4-dien-1-olate

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

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

SELFIES: [O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][/C][=C][/O-1]

InChI: InChI=1S/C6H6O4/c7-4-3-5(8)1-2-6(9)10/h1-4,7H,(H,9,10)/p-1/b2-1+,4-3+

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 0.2