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Molecule
Lithium Titanate
CAS: 12031-82-2 · LiOTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12031-82-2
- Molecular Formula
- LiOTi
- Molecular Mass
- 70.81 g/mol
Identifiers
CAS Registry Number
12031-82-2
SMILES
[Li].[O].[Ti]
InChI Key
ZTWBEOCMVOSCSU-UHFFFAOYSA-N
InChI
InChI=1S/Li.O.Ti
Names and Synonyms
- Lithium Titanate Common Name
- Lithium titanium oxide (Li2TiO3) Synonym
- Titanate (TiO32-), dilithium Synonym
- Lithium titanate(IV) (Li2TiO3) Synonym
- Titanium lithium oxide (Li2TiO3) Synonym
- Lithium titanate (Li2TiO3) Synonym
- Dilithium titanate (Li2TiO3) Synonym
- Dilithium titanium oxide (Li2TiO3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 70.81 g/mol | CAS Common Chemistry |
| 70.95886547 g/mol | RDKit | |
| 70.807 g/mol | RDKit | |
| 75.847 g/mol | chempirical lib | |
| Density | 3.42 g/cm³ | CAS Common Chemistry |
| 3.418 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_titanate | CAS Common Chemistry |
| Canonical SMILES | [Li].[O].[Ti] | CAS Common Chemistry |
| InChI | InChI=1S/Li.O.Ti | CAS Common Chemistry |
| InChI Key | InChIKey=ZTWBEOCMVOSCSU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium titanium oxide (Li2TiO3) | CAS Common Chemistry |
| Lithium titanate | 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 | 70.807 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 70.81 g/mol; density = 3.420 g/mL. Edit any field — others recompute live.
