calcium dimanganesoylolate

• ChemBase ID: 126351
• Molecular Formular: CaMn2O8
• Molecular Mass: 277.949298
• Monoisotopic Mass: 277.79799814
• SMILES: [Ca+2].O=[Mn](=O)(=O)[O-].[O-][Mn](=O)(=O)=O
• Canonical SMILES: [O-][Mn](=O)(=O)=O.[O-][Mn](=O)(=O)=O.[Ca+2]
• InChI: InChI=1S/Ca.2Mn.8O/q+2;;;;;;;;;2*-1
• InChIKey: HYSMCTNXSYZEHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dimanganesoylolate
• IUPAC Traditional name: calcium dipermanganate
• Synonyms: Calcium permanganate

Database IDs

• CAS Number: 10118-76-0
• EC Number: 233-322-7
• PubChem SID: 162220687
• PubChem CID: 24959
• Chemspider ID: 23333
• Wikipedia Title: Calcium_permanganate

CALCULATED PROPERTIES

• Acid pKa: 11.438313
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3404005
• LogD (pH = 7.4): -2.3404396
• Log P: -2.3404
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 6.178952 Å^3
• Polar Surface Area: 74.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: tetrahydrate: ; 331 g/100 mL (14 °C) ; 338 g/100 mL (25 °C) in water; soluble in ammonium hydroxide ; decomposes in alcohol
• Apperance: purple crystals ; deliquesent
• Melting Point: 140 °C (decomp, tetrahydrate)
• Density: 2.49 g/cm^3

Safety Information

• RTECS: EW3860000