chempirical

Calcium zirconate

Ca2O6Zr2CAS 12013-47-7358.60 g/mol

Open in Covalent MOL file
O−ZrOO−O−ZrOO−Ca2+Ca2+

Properties

Molecular formula
Ca2O6Zr2
Molar mass
358.60 g/mol
Exact mass
355.7041 Da
Density
4.57–4.68 g/mL
logP
-0.50Crippen estimate
Polar surface area
28.5 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
12013-47-7
SMILES
[O-][Zr](=O)[O-].[O-][Zr](=O)[O-].[Ca+2].[Ca+2]
InChIKey
XZGFBUHBEYJBGE-UHFFFAOYSA-N
InChI
InChI=1S/2Ca.6O.2Zr/q2*+2;;;4*-1;;

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • Calcium zirconium oxide (CaZrO3)
  • Calcium zirconate(IV) (CaZrO3)
  • Zirconate (ZrO32-), calcium (1:1)
  • Calcium zirconium trioxide
  • Calcium metazirconate (CaZrO3)
  • Calcium zirconate (CaZrO3)
  • Ticon 110
  • CZ 05
  • CZ-TH
  • Calcium zirconium oxide Ca0.5Zr0.5O1.5
  • CZ 03

Work with Calcium zirconate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Strontium zirconate12036-39-460 % similar Lead zirconate12060-01-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook