potassium 2-hydroxybenzoate

• ChemBase ID: 129078
• Molecular Formular: C7H5KO3
• Molecular Mass: 176.2111
• Monoisotopic Mass: 175.9875757
• SMILES: [K+].O=C([O-])c1ccccc1O
• Canonical SMILES: [O-]C(=O)c1ccccc1O.[K+]
• InChI: InChI=1S/C7H6O3.K/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
• InChIKey: FRMWBRPWYBNAFB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 2-hydroxybenzoate
• IUPAC Traditional name: potassium salicylate
• Synonyms: Potassium salicylate

Database IDs

• CAS Number: 578-36-9
• EC Number: 209-421-6
• PubChem SID: 162223377
• PubChem CID: 23664267; 23664627
• ATC CODE: N02BA12
• Chemspider ID: 10877
• Wikipedia Title: Potassium_salicylate

CALCULATED PROPERTIES

• Acid pKa: 2.7897391
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6725287
• LogD (pH = 7.4): -1.5175761
• Log P: 1.9772635
• Molar Refractivity: 46.1322 cm^3
• Polarizability: 13.208861 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Safety Statements: R