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Lithium Aluminate
CAS: 12003-67-7 | AlLiO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12003-67-7
Molecular Formula:
AlLiO2
Molecular Weight:
65.921 g/mol
Names and Synonyms:
Lithium Aluminate
HAS 10
HAS 10 (oxide)
HSA 10
Aluminum lithium oxide (AlLi02)
Lithium aluminum spinel
Lithium aluminum oxide (LiAlO2)
Aluminum lithium oxide (AlLiO2)
Aluminate (AlO21-), lithium
Lithium aluminate (LiAlO2)
Aluminum lithium oxide (LiAlO2)
Aluminate (AlO21-), lithium (1:1)
Identifiers:
SMILES:
[Al-].[Li+].[O].[O]
InChI:
InChI=1S/Al.Li.2O/q-1;+1;;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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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 |
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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 | 65.921 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 65.98737242 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 | 57.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -3.6144 | RDKit |
| molecular_mass | 65.92 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_aluminate None | Legacy Database |
| cas-canonical-smile | [Li+].O=[Al-]=O None | Legacy Database |
| cas-inchi | InChI=1S/Al.Li.2O/q-1;+1;; None | Legacy Database |
| cas-inchi-key | InChIKey=VDENSUSFMBFCRI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Aluminum lithium oxide (AlLiO2) None | Legacy Database |
| wikipedia-name | Lithium aluminate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.126999999999999 | RDKit |
