(2Mn)manganese(1+) ion diacetate

• ChemBase ID: 128200
• Molecular Formular: C4H6MnO4-
• Molecular Mass: 118.08804
• Monoisotopic Mass: 118.02660867
• SMILES: CC(=O)[O-].CC(=O)[O-].[2Mn+]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[2Mn+]
• InChI: InChI=1S/2C2H4O2.Mn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-2/i;;1-53
• InChIKey: OKKLFDWVVRMJAY-HYIIBJDMSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2Mn)manganese(1+) ion diacetate
• IUPAC Traditional name: (^2Mn)manganese(1+) ion diacetate
• Synonyms: Manganese diacetate; Manganese(II) acetate

Database IDs

• CAS Number: 638-38-0
• PubChem CID: 12525
• Chemspider ID: 12008
• Wikipedia Title: Manganese(II)_acetate

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in water, methanol, acetic acid (anhydrous); soluble in water, ethanol (tetrahydrate)
• Apperance: red crystals (anhydrous); red monoclinic crystals (tetrahydrate)
• Melting Point: 210°C (anhydrous); 80°C (tetrahydrate)
• Flash Point: > 130°C (tetrahydrate)
• Density: 1.74 g/cm^3 (anhydrous); 1.59 g/cm^3 (tetrahydrate)

Safety Information

• NFPA704:
  

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