potassium benzenolate

• ChemBase ID: 180516
• Molecular Formular: C6H5KO
• Molecular Mass: 132.2016
• Monoisotopic Mass: 131.99774646
• SMILES: [K+].c1(ccccc1)[O-]
• Canonical SMILES: [O-]c1ccccc1.[K+]
• InChI: InChI=1S/C6H6O.K/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
• InChIKey: ZGJADVGJIVEEGF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium benzenolate
• IUPAC Traditional name: potassium phenolate
• Synonyms: Potassium phenolate

Database IDs

• CAS Number: 100-67-4
• PubChem SID: 164236426
• PubChem CID: 23670670

CALCULATED PROPERTIES

• Acid pKa: 10.01615
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6696674
• LogD (pH = 7.4): 1.6686368
• Log P: 1.6696805
• Molar Refractivity: 38.5892 cm^3
• Polarizability: 10.672626 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true