Molecule ID: 91828237

IUPAC Name: (E,2R)-5-oxopent-3-ene-1,2,5-tricarboxylic acid

Description: The molecule is a tricarboxylic acid that is pent-3-ene-1,2,5-tricarboxylic acid carrying an oxo substituent at position 5 (the 2R,3E-stereoisomer). It is a conjugate acid of a (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate.

SMILES: O=C(O)C[C@H](/C=C/C(=O)C(=O)O)C(=O)O

SELFIES: [O][=C][Branch1][C][O][C][C@H1][Branch1][N][/C][=C][/C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)/b2-1+/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -0.9