Molecule ID: 136041704

IUPAC Name: (E,2Z)-2-[carboxy(oxido)methylidene]-5-oxopent-3-enoate

Description: The molecule is a dicarboxylic acid dianion arising from deprotonation of both carboxy groups of 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid; major species at pH 7.3. It is a conjugate base of a 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid.

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

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

InChI: InChI=1S/C7H6O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/p-2/b2-1+,5-4-

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 0.6