Molecule ID: 54690315

IUPAC Name: 5-amino-2-carboxyphenolate

Description: The molecule is an aminobenzoate that is the conjugate base of 4-aminosalicylic acid, obtained by deprotonation of the carboxy group. Major miscrospecies at pH 7.3. It is a hydroxybenzoate and an aminobenzoate. It derives from a salicylate. It is a conjugate base of a 4-aminosalicylic acid.

SMILES: Nc1ccc(C(=O)O)c([O-])c1

SELFIES: [N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O-1][=C][Ring1][#Branch2]

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

Molecular Properties:
- Polar Surface Area: 86.4 Ų
- LogP: 2.0