manganese(3+) ion triacetate

• ChemBase ID: 128207
• Molecular Formular: C6H9MnO6
• Molecular Mass: 232.070109
• Monoisotopic Mass: 231.97795811
• SMILES: [Mn+3].O=C([O-])C.[O-]C(=O)C.[O-]C(=O)C
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Mn+3]
• InChI: InChI=1S/3C2H4O2.Mn/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
• InChIKey: AHSBSUVHXDIAEY-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: manganese(3+) ion triacetate
• IUPAC Traditional name: manganese(3+) ion triacetate
• Synonyms: Manganese triacetate dihydrate; Manganese(III) acetate dihydrate; Manganese(III) acetate

Database IDs

• CAS Number: 19513-05-4
• PubChem SID: 162222516
• PubChem CID: 160554
• Chemspider ID: 141084
• Wikipedia Title: Manganese(III)_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

• Apperance: Brown powder
• Density: 1.049 g cm^-3, liquid; 1.266 g cm^-3, solid

Safety Information

• Risk Statements: R36/37/38, R62, R63
• Safety Statements: S26, S37/39