magnesium(2+) ion diacetate

• ChemBase ID: 128169
• Molecular Formular: C4H6MgO4
• Molecular Mass: 142.39304
• Monoisotopic Mass: 142.01165037
• SMILES: [Mg+2].[O-]C(=O)C.[O-]C(=O)C
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[Mg+2]
• InChI: InChI=1S/2C2H4O2.Mg/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
• InChIKey: UEGPKNKPLBYCNK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion diacetate
• IUPAC Traditional name: magnesium(2+) ion diacetate
• Synonyms: Magnesium acetate

Database IDs

• CAS Number: 142-72-3
• PubChem SID: 162222483
• PubChem CID: 8896
• CHEMBL: 1200691
• Chemspider ID: 8556
• Wikipedia Title: Magnesium_acetate

CALCULATED PROPERTIES

• 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
• Acid pKa: 4.54344
• H Acceptors: 2

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: White hygroscopic crystals
• Melting Point: 80 °C (tetrahydrate)
• Density: 1.45 g/cm^3