Back to Search
Zirconate (Zro32-), Lithium (1:2)
CAS: 12031-83-3 | Li2O3Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12031-83-3
Molecular Formula:
Li2O3Zr
Molecular Mass:
153.10 g/mol
Names and Synonyms:
Zirconate (Zro32-), Lithium (1:2)
Zirconate (ZrO32-), lithium (1:2)
Lithium zirconium oxide (Li2ZrO3)
Zirconate (ZrO32-), dilithium
Lithium zirconate(IV) (Li2ZrO3)
Zirconium lithium oxide (Li2ZrO3)
Lithium zirconate (Li2ZrO3)
Dilithium zirconium trioxide
Identifiers:
SMILES:
[Li+].[Li+].[O].[O].[O].[Zr-2]
InChI:
InChI=1S/2Li.3O.Zr/q2*+1;;;;-2
Key Properties
Melting Point
720 °C
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 | 153.10 g/mol | CAS Common Chemistry |
| 153.103 g/mol | RDKit | |
| 151.92145736 g/mol | RDKit | |
| Canonical SMILES | [Li+].O=[Zr-2](=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/2Li.3O.Zr/q2*+1;;;;-2 | CAS Common Chemistry |
| InChI Key | InChIKey=DBPXPWJAAPLQJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 720 °C | CAS Common Chemistry |
| Name | Zirconate (ZrO32-), lithium (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 85.5 Ų | RDKit |
| LogP | -6.350900000000001 | RDKit |
| Molar Refractivity | 2.0595 | RDKit |
