Back to Search
Calcium Zirconate
CAS: 12013-47-7 | CaOZr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12013-47-7
Molecular Formula:
CaOZr
Molecular Mass:
147.30 g/mol
Names and Synonyms:
Calcium Zirconate
Calcium zirconium oxide (CaZrO3)
Calcium zirconate(IV) (CaZrO3)
Zirconate (ZrO32-), calcium (1:1)
Calcium zirconium trioxide
Calcium metazirconate (CaZrO3)
Calcium zirconate (CaZrO3)
Calcium zirconate
Ticon 110
CZ 05
CZ-TH
Calcium zirconium oxide Ca0.5Zr0.5O1.5
CZ 03
Identifiers:
SMILES:
[Ca].[O].[Zr]
InChI:
InChI=1S/Ca.O.Zr
Key Properties
Density
4.57-4.68 g/cm3
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.30 g/mol | CAS Common Chemistry |
| 147.30100000000002 g/mol | RDKit | |
| 145.86221 g/mol | RDKit | |
| Canonical SMILES | [O].[Ca].[Zr] | CAS Common Chemistry |
| Density | 4.57-4.68 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/Ca.O.Zr | CAS Common Chemistry |
| InChI Key | InChIKey=RRIMGODMAAWCPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium zirconate | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -0.5021 | RDKit |
| Molar Refractivity | 6.440499999999999 | RDKit |
