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Molecule
Lithium Oxide
CAS: 12057-24-8 · Li2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12057-24-8
- Molecular Formula
- Li2O
- Molecular Mass
- 29.881 g/mol
Identifiers
CAS Registry Number
12057-24-8
SMILES
[Li].[Li].[O]
InChI Key
XZIUWXMPQBQHMC-UHFFFAOYSA-N
InChI
InChI=1S/2Li.O
Names and Synonyms
- Lithium Oxide Synonym
- Lithium oxide (Li2O) Synonym
- Dilithium oxide Synonym
- Lithia Synonym
- Dilithium monoxide Synonym
- Lithium oxide Synonym
- Lithium oxide (LiO0.5) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 2.01 g/cm³ | CAS Common Chemistry |
| 2.01 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_oxide | CAS Common Chemistry |
| Canonical SMILES | [Li]O[Li] | CAS Common Chemistry |
| InChI | InChI=1S/2Li.O | CAS Common Chemistry |
| InChI Key | InChIKey=XZIUWXMPQBQHMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >1600 °C | CAS Common Chemistry |
| Name | Lithium oxide | CAS Common Chemistry |
| Molecular Mass | 29.881 g/mol | RDKit |
| 30.02692372 g/mol | RDKit | |
| 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 | -0.8804000000000001 | RDKit |
| -0.8804 | RDKit | |
| Molar Refractivity | 12.1945 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 29.88 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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Quick conversion
MW = 29.88 g/mol; density = 2.010 g/mL. Edit any field — others recompute live.
