Molecule ID: 91828274

IUPAC Name: (Z)-6-oxohept-3-enedioic acid

Description: The molecule is an oxo dicarboxylic acid that is (4Z)-hept-4-enedioic acid substituted at position 2 by an oxo group. It is an oxo dicarboxylic acid and an olefinic compound. It is a conjugate acid of a (4Z)-2-oxohept-4-enedioate. It is a tautomer of a (2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid.

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

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

InChI: InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,9,10)(H,11,12)/b2-1-

Molecular Properties:
- Polar Surface Area: 91.7 Ų
- LogP: -0.3