cadmium(2+) ion diacetate

• ChemBase ID: 126310
• Molecular Formular: C4H6CdO4
• Molecular Mass: 230.49904
• Monoisotopic Mass: 231.92996667
• SMILES: [Cd+2].[O-]C(=O)C.[O-]C(=O)C
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[Cd+2]
• InChI: InChI=1S/2C2H4O2.Cd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
• InChIKey: LHQLJMJLROMYRN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cadmium(2+) ion diacetate
• IUPAC Traditional name: cadmium(2+) ion diacetate
• Synonyms: Cadmium diacetate; Cadmium acetate

Database IDs

• CAS Number: 543-90-8
• EC Number: 208-853-2
• PubChem SID: 162220649
• PubChem CID: 10986
• Chemspider ID: 10521
• Wikipedia Title: Cadmium_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, ethanol (anhydrous); very soluble in water, soluble in ethanol (dihydrate)
• Apperance: colorless crystals (anhydrous); white crystals (dihydrate)
• Melting Point: 255 °C (anhydrous); decomposes at 130°C (dihydrate)
• Density: 2.341 g/cm^3 (anhydrous); 2.01 g/cm^3 (dihydrate)

Safety Information

• RTECS: AF7505000
• Risk Statements: R20/21/22
• Safety Statements: S2 S22
• NFPA704:
  

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