Molecule ID: 5460066

IUPAC Name: (Z)-4,6-dioxooct-2-enedioate

Description: The molecule is an oxo dicarboxylate. It has a role as a human metabolite. It derives from an oct-2-enedioate. It is a conjugate base of a 4-maleylacetoacetic acid.

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

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

InChI: InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/p-2/b2-1-

Molecular Properties:
- Polar Surface Area: 114.0 Ų
- LogP: 0.6