potassium {[hydroxy(phenyl)methylidene]amino}olate

• ChemBase ID: 110611
• Molecular Formular: C7H6KNO2
• Molecular Mass: 175.22634
• Monoisotopic Mass: 175.00356012
• SMILES: [K+].O/C(=N\[O-])/c1ccccc1
• Canonical SMILES: [O-]/N=C(/c1ccccc1)\O.[K+]
• InChI: InChI=1S/C7H7NO2.K/c9-7(8-10)6-4-2-1-3-5-6;/h1-5,10H,(H,8,9);/q;+1/p-1
• InChIKey: DFANDSRITICTFT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium {[hydroxy(phenyl)methylidene]amino}olate
• IUPAC Traditional name: potassium ion [hydroxy(phenyl)methylidene]aminoolate
• Synonyms: POTASSIUM BENZOHYDROXAMATE

Database IDs

• PubChem SID: 162106398
• PubChem CID: 3808331

CALCULATED PROPERTIES

• Acid pKa: 7.996413
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6389002
• LogD (pH = 7.4): 1.5400957
• Log P: 1.6403085
• Molar Refractivity: 36.301 cm^3
• Polarizability: 13.91937 Å^3
• Polar Surface Area: 55.65 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05215705

MP Biomedicals Rare Chemical collection