Molecule ID: 135476772

IUPAC Name: (Z)-2-hydroxy-3-[(E)-3-oxoprop-1-enyl]but-2-enedioic acid

Description: The molecule is a carboxy-2-hydroxymuconate semialdehyde having the carboxy group at the 3-position. It is a conjugate acid of a 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioate.

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

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

InChI: InChI=1S/C7H6O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/b2-1+,5-4-

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -0.1