Molecule ID: 49852352

IUPAC Name: 6-amino-5-oxocyclohexa-1,3-diene-1-carboxylate

Description: The molecule is a 4-oxo monocarboxylic acid anion that is 2,3-dihydro-3-oxo tautomer of 3-hydroxyanthranilate and results from the removal of a proton from the carboxylic acid group of 2,3-dihydro-3-oxoanthranilic acid. It is a 4-oxo monocarboxylic acid anion and an oxo monocarboxylic acid anion. It is a conjugate base of a 2,3-dihydro-3-oxoanthranilic acid. It is a tautomer of a 3-hydroxyanthranilate.

SMILES: NC1C(=O)C=CC=C1C(=O)[O-]

SELFIES: [N][C][C][=Branch1][C][=O][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,6H,8H2,(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 83.2 Ų
- LogP: -1.6