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Molecule
Lithium Aluminate
CAS: 12003-67-7 · AlLiO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12003-67-7
- Molecular Formula
- AlLiO2
- Molecular Mass
- 65.921 g/mol
Identifiers
CAS Registry Number
12003-67-7
SMILES
[Al-].[Li+].[O].[O]
InChI Key
VDENSUSFMBFCRI-UHFFFAOYSA-N
InChI
InChI=1S/Al.Li.2O/q-1;+1;;
Names and Synonyms
- Lithium Aluminate Common Name
- Aluminate (AlO21-), lithium (1:1) Synonym
- Aluminum lithium oxide (LiAlO2) Synonym
- Lithium aluminate (LiAlO2) Synonym
- Aluminate (AlO21-), lithium Synonym
- Aluminum lithium oxide (AlLiO2) Synonym
- Lithium aluminum oxide (LiAlO2) Synonym
- Lithium aluminum spinel Synonym
- Aluminum lithium oxide (AlLi02) Synonym
- HSA 10 Synonym
- HAS 10 (oxide) Synonym
- HAS 10 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_aluminate | CAS Common Chemistry |
| Canonical SMILES | [Li+].O=[Al-]=O | CAS Common Chemistry |
| InChI | InChI=1S/Al.Li.2O/q-1;+1;; | CAS Common Chemistry |
| InChI Key | InChIKey=VDENSUSFMBFCRI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum lithium oxide (AlLiO2) | CAS Common Chemistry |
| Molecular Mass | 65.921 g/mol | RDKit |
| 65.98737242 g/mol | RDKit | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.0 Ų | RDKit |
| LogP | -3.6144 | RDKit |
| Molar Refractivity | 7.126999999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 65.92 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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 = 65.92 g/mol. Edit any field — others recompute live.
