Molecule ID: 5280525

IUPAC Name: (E)-4,6-dioxohept-2-enedioic acid

Description: The molecule is a 4,6-dioxohept-2-enedioic acid that is pyruvic acid substituted at position 3 by a fumaryl group. It is a 4,6-dioxohept-2-enedioic acid and a beta-diketone. It derives from a pyruvic acid. It is a conjugate acid of a 3-fumarylpyruvate(2-).

SMILES: O=C(O)/C=C/C(=O)CC(=O)C(=O)O

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

InChI: InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1+

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -0.7