Molecule ID: 440394

IUPAC Name: 6-imino-5-oxocyclohexa-1,3-diene-1-carboxylic acid

Description: The molecule is a cyclohexadienecarboxylic acid having the C=C double bonds at the 1- and 3-positions, the carboxy group at the 1-position, an oxo group at the 5-position and an imino group at the 6-position. It is a cyclohexadienecarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a 6-imino-5-oxocyclohexa-1,3-diene-1-carboxylate.

SMILES: N=C1C(=O)C=CC=C1C(=O)O

SELFIES: [N][=C][C][=Branch1][C][=O][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H5NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,8H,(H,10,11)

Molecular Properties:
- Polar Surface Area: 78.2 Ų
- LogP: 0.2