Molecule ID: 5280398

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

Description: The molecule is an oxo dicarboxylic acid and a beta-diketone. It derives from an oct-2-enedioic acid. It is a conjugate acid of a 4-fumarylacetoacetate(2-).

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

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

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)/b2-1+

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