Molecule ID: 5280679

IUPAC Name: (E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid

Description: The molecule is a 4-oxo derivative of but-1-ene-1,2,4-tricarboxylic acid with (E)-stereochemistry about the C=C bond. It derives from a but-1-ene-1,2,4-tricarboxylic acid. It is a conjugate acid of a (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate.

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

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

InChI: InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/b3-2+

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -1.1