Molecule ID: 25245156

IUPAC Name: (E)-2-oxohex-3-enedioate

Description: The molecule is the oxo dicarboxylate dianion that is hex-3-enedioate oxo-substituted at C-2; the stereochemistry of the C=C double bond is unspecified. It is a conjugate base of a 2-oxohex-3-enedioic acid.

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

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

InChI: InChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)/p-2/b2-1+

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 0.9