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Lithium Titanate
CAS: 12031-82-2 | LiOTi
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
12031-82-2
Molecular Formula:
LiOTi
Molecular Weight:
70.807 g/mol
Names and Synonyms:
Lithium Titanate
Common Name
Dilithium titanium oxide (Li2TiO3)
Synonym
Dilithium titanate (Li2TiO3)
Synonym
Lithium titanate (Li2TiO3)
Synonym
Titanium lithium oxide (Li2TiO3)
Synonym
Lithium titanate(IV) (Li2TiO3)
Synonym
Titanate (TiO32-), dilithium
Synonym
Lithium titanium oxide (Li2TiO3)
Synonym
Identifiers:
SMILES:
[Li].[O].[Ti]
InChI:
InChI=1S/Li.O.Ti
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 70.807 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 70.95886547 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 28.5 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.5021 | RDKit |
| molecular_mass | 70.81 g/mol | Legacy Database |
| density | 3.42 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_titanate None | Legacy Database |
| cas-canonical-smile | [Li].[O].[Ti] None | Legacy Database |
| cas-density | 3.418 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/Li.O.Ti None | Legacy Database |
| cas-inchi-key | InChIKey=ZTWBEOCMVOSCSU-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Lithium titanium oxide (Li2TiO3) None | Legacy Database |
| wikipedia-name | Lithium titanate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 6.440499999999999 | RDKit |