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Molecule
Strontium Zirconate
CAS: 12036-39-4 · OSrZr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12036-39-4
- Molecular Formula
- OSrZr
- Molecular Mass
- 194.84 g/mol
Identifiers
CAS Registry Number
12036-39-4
SMILES
[O].[Sr].[Zr]
InChI Key
MORNPRMFCKKZNP-UHFFFAOYSA-N
InChI
InChI=1S/O.Sr.Zr
Names and Synonyms
- Strontium Zirconate Synonym
- Strontium zirconium oxide (SrZrO3) Synonym
- Zirconate (ZrO32-), strontium (1:1) Synonym
- Strontium zirconate(IV) (SrZrO3) Synonym
- Strontium metazirconate Synonym
- Strontium zirconate Synonym
- Strontium zirconium trioxide Synonym
- Strontium zirconate (SrZrO3) Synonym
- Strontium zirconium trioxide (SrZrO3) Synonym
- Transelco 118 Synonym
- Zirconium strontium oxide Synonym
- Strontium zirconium oxide Synonym
- SZ 03 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.84 g/mol | CAS Common Chemistry |
| 194.84300000000002 g/mol | RDKit | |
| 194.843 g/mol | RDKit | |
| 202.907 g/mol | chempirical lib | |
| Density | 3.40 g/cm³ | CAS Common Chemistry |
| 3.40 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [O].[Sr].[Zr] | CAS Common Chemistry |
| InChI | InChI=1S/O.Sr.Zr | CAS Common Chemistry |
| InChI Key | InChIKey=MORNPRMFCKKZNP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Strontium 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 193.80523112 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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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.
External Resources
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MW = 194.84 g/mol; density = 3.400 g/mL. Edit any field — others recompute live.
