Molecule ID: 54703377

IUPAC Name: 5-acetamido-2-carboxyphenolate

Description: The molecule is an amidobenzoate that is the conjugate base of 4-acetamidosalicylic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is an amidobenzoate and a monohydroxybenzoate. It derives from a 4-acetamidosalicylic acid.

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

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

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

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 2.3