dihydrate zirconium

• ChemBase ID: 105735
• Molecular Formular: O2Zr
• Molecular Mass: 123.2228
• Monoisotopic Mass: 121.89453324
• SMILES: O.O.[Zr]
• Canonical SMILES: O.O.[Zr]
• InChI: InChI=1S/2H2O.Zr/h2*1H2
• InChIKey: YYTCNKUFARLLTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dihydrate zirconium
• IUPAC Traditional name: dihydrate zirconium
• Synonyms: ZIRCONIUM OXIDE

Database IDs

• CAS Number: 1314-23-4
• PubChem SID: 162093822
• PubChem CID: 44135007

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: ZH8800000
• European Hazard Symbols: Flammable (F)
• Risk Statements: R:15-17
• Safety Statements: S:7/8