Molecule ID: 643757

IUPAC Name: (Z)-prop-1-ene-1,2,3-tricarboxylic acid

Description: The molecule is the cis-isomer of aconitic acid. It has a role as a fundamental metabolite. It is a conjugate acid of a cis-aconitate(3-).

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

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

InChI: InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -1.0