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Molecule
Lead Zirconate
CAS: 12060-01-4 · OPbZr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12060-01-4
- Molecular Formula
- OPbZr
- Molecular Mass
- 314.42 g/mol
Identifiers
CAS Registry Number
12060-01-4
SMILES
[O].[Pb].[Zr]
InChI Key
KICZHUUICHNUSL-UHFFFAOYSA-N
InChI
InChI=1S/O.Pb.Zr
Names and Synonyms
- Lead Zirconate Synonym
- Lead zirconium oxide (PbZrO3) Synonym
- Zirconium lead oxide (PbZrO3) Synonym
- Lead zirconate Synonym
- Lead zirconate (PbZrO3) Synonym
- Lead zirconium trioxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 314.42 g/mol | CAS Common Chemistry |
| 314.423 g/mol | RDKit | |
| 322.487 g/mol | chempirical lib | |
| Canonical SMILES | [O].[Zr].[Pb] | CAS Common Chemistry |
| InChI | InChI=1S/O.Pb.Zr | CAS Common Chemistry |
| InChI Key | InChIKey=KICZHUUICHNUSL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1570 °C | CAS Common Chemistry |
| Name | Lead 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 | 313.87627112 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 = 314.42 g/mol. Edit any field — others recompute live.
