Molecule ID: 54724589

IUPAC Name: (2Z,4E)-1-hydroxy-1,6-dioxohepta-2,4-dien-2-olate

Description: The molecule is a 2-hydroxy-6-oxo-2,4-heptadienoate which has 2Z,4E configuration. Obtained by deprotonation of the carboxy group of (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid, it is the major species at pH 7.3. It is a conjugate base of a (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid.

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

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

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

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 0.9