cobalt(3+) ion tripotassium hydrate hexanitrite

• ChemBase ID: 111212
• Molecular Formular: CoH2K3N6O13
• Molecular Mass: 470.27638
• Monoisotopic Mass: 469.79229919
• SMILES: O.[K+].[K+].[K+].[Co+3].[O-]N=O.[O-]N=O.[O-]N=O.[O-]N=O.[O-]N=O.[O-]N=O
• Canonical SMILES: [O-]N=O.[O-]N=O.[O-]N=O.[O-]N=O.[O-]N=O.[O-]N=O.O.[K+].[K+].[K+].[Co+3]
• InChI: InChI=1S/Co.3K.6HNO2.H2O/c;;;;6*2-1-3;/h;;;;6*(H,2,3);1H2/q+3;3*+1;;;;;;;/p-6
• InChIKey: WLPLGDPHTBMXEF-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(3+) ion tripotassium hydrate hexanitrite
• IUPAC Traditional name: cobalt(3+) tripotassium ion hydrate hexanitrite
• Synonyms: POTASSIUM COBALTINITRITE

Database IDs

• CAS Number: 13782-01-9
• PubChem SID: 162103214
• PubChem CID: 25022080

CALCULATED PROPERTIES

• Acid pKa: 3.3200002
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8028829
• LogD (pH = 7.4): -2.2017875
• Log P: 0.16613764
• Molar Refractivity: 7.6 cm^3
• Polarizability: 2.4691868 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05218187

MP Biomedicals Rare Chemical collection