cadmiumdiol hydrate

• ChemBase ID: 136277
• Molecular Formular: CdH4O3
• Molecular Mass: 164.44096
• Monoisotopic Mass: 165.91940199
• SMILES: O.O[Cd]O
• Canonical SMILES: O[Cd]O.O
• InChI: InChI=1S/Cd.3H2O/h;3*1H2/q+2;;;/p-2
• InChIKey: NGHYQUMORBCTRL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cadmiumdiol hydrate
• IUPAC Traditional name: cadmiumdiol hydrate
• Synonyms: Cadmium hydroxide hydrate; 氢氧化镉 水合物

Database IDs

• CAS Number: 29736-89-8
• MDL Number: MFCD00191893
• PubChem SID: 162230548
• PubChem CID: 71309702

CALCULATED PROPERTIES

• Log P: -1.638
• Molar Refractivity: 5.1292 cm^3
• Polarizability: 7.3432035 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 16.31197
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.638
• LogD (pH = 7.4): -1.638

PROPERTIES

Product Information

• Compostion: Cd, 65%; Degree of hydration, 1-2
• Empirical Formula (Hill Notation): H2CdO2 · xH2O