tripotassium cobalt hexanitrite

• ChemBase ID: 129059
• Molecular Formular: CoK3N6O12---
• Molecular Mass: 452.2611
• Monoisotopic Mass: 451.78173451
• SMILES: N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[K+].[K+].[K+].[Co]
• Canonical SMILES: [O-]N=O.[O-]N=O.[O-]N=O.[O-]N=O.[O-]N=O.[O-]N=O.[K+].[K+].[K+].[Co]
• InChI: InChI=1S/Co.3K.6HNO2/c;;;;6*2-1-3/h;;;;6*(H,2,3)/q;3*+1;;;;;;/p-6
• InChIKey: SAWQYOQAZLBHOU-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: tripotassium cobalt hexanitrite
• IUPAC Traditional name: tripotassium cobalt hexanitrite
• Synonyms: Potassium cobaltinitrite

Database IDs

• CAS Number: 13782-01-9
• PubChem SID: 162223359
• PubChem CID: 57459379; 25022080
• Wikipedia Title: Potassium_cobaltinitrite

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

PROPERTIES

Physical Property

• Solubility: reacts with acids, insoluble in ethanol (sesquihydrate); slightly soluble in water (sesquihydrate)
• Apperance: yellow cubic crystals (sesquihydrate)
• Density: 2.6 g/cm^3 (sesquihydrate)