4-oxo-1,3-dioxa-2-cadma-4-zirconacyclobutane

• ChemBase ID: 110633
• Molecular Formular: CdO3Zr
• Molecular Mass: 251.6332
• Monoisotopic Mass: 251.79280586
• SMILES: O=[Zr]1O[Cd]O1
• Canonical SMILES: O=[Zr]1O[Cd]O1
• InChI: InChI=1S/Cd.3O.Zr
• InChIKey: KEXGRXVLWDPCTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-oxo-1,3-dioxa-2-cadma-4-zirconacyclobutane
• IUPAC Traditional name: 4-oxo-1,3-dioxa-2-cadma-4-zirconacyclobutane
• Synonyms: CADMIUM ZIRCONATE

Database IDs

• CAS Number: 12139-23-0
• PubChem SID: 162089335
• PubChem CID: 5057191

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7566
• LogD (pH = 7.4): 0.7566
• Log P: 0.7566
• Molar Refractivity: 4.1433 cm^3
• Polarizability: 12.039439 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:15-17
• Safety Statements: S:7/8

DETAILS

MP Biomedicals - 05215776

MP Biomedicals Rare Chemical collection