Molecule ID: 90657256

IUPAC Name: 2-acetamido-4-carboxyphenolate

Description: The molecule is a carboxylic acid anion resulting from the deprotonation of the carboxy group of 3-acetamido-4-hydroxybenzoic acid. The major microspecies at pH 7.3. It is a conjugate base of a 3-acetamido-4-hydroxybenzoic acid.

SMILES: CC([O-])=Nc1cc(C(=O)O)ccc1O

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

InChI: InChI=1S/C9H9NO4/c1-5(11)10-7-4-6(9(13)14)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 0.9