Molecule ID: 54675840

IUPAC Name: 4-amino-2-carboxyphenolate

Description: The molecule is a hydroxybenzoate that is the conjugate base of mesalamine, arising from deprotonation of the carboxy group. It is a hydroxybenzoate and an aminobenzoate. It derives from a salicylate. It is a conjugate base of a mesalamine.

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

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

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

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