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Molecule
Lithium Tantalate
CAS: 12031-66-2 · LiOTa
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12031-66-2
- Molecular Formula
- LiOTa
- Molecular Mass
- 203.89 g/mol
Identifiers
CAS Registry Number
12031-66-2
SMILES
[Li].[O].[Ta]
InChI Key
OWOLJHNXJHBSAJ-UHFFFAOYSA-N
InChI
InChI=1S/Li.O.Ta
Names and Synonyms
- Lithium Tantalate Common Name
- Lithium tantalum oxide (LiTaO3) Synonym
- Lithium tantalate(V) (LiTaO3) Synonym
- Tantalate (TaO31-), lithium Synonym
- Tantalum lithium oxide (LiTaO3) Synonym
- Lithium tantalate (LiTaO3) Synonym
- Lithium tantalate Synonym
- Lithium tantalate (LaTaO3) Synonym
- Lithium tantalum oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.89 g/mol | CAS Common Chemistry |
| 203.95891497 g/mol | RDKit | |
| 203.888 g/mol | RDKit | |
| 211.952 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_tantalate | CAS Common Chemistry |
| Canonical SMILES | [Li].[O].[Ta] | CAS Common Chemistry |
| InChI | InChI=1S/Li.O.Ta | CAS Common Chemistry |
| InChI Key | InChIKey=OWOLJHNXJHBSAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1562 °C | CAS Common Chemistry |
| Name | Lithium tantalum oxide (LiTaO3) | 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 | 203.888 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 203.89 g/mol. Edit any field — others recompute live.
