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Lithium Peroxide
CAS: 12031-80-0 | Li2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
12031-80-0
Molecular Formula:
Li2O2
Molecular Weight:
45.88 g/mol
Names and Synonyms:
Lithium Peroxide
Common Name
Dilithium peroxide
Synonym
Lithium peroxide
Synonym
Lithium oxide (Li2O2)
Synonym
Lithium peroxide (Li2(O2))
Synonym
Identifiers:
SMILES:
[Li+].[Li+].[O-][O-]
InChI:
InChI=1S/2Li.O2/c;;1-2/q2*+1;-2
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 | 45.88 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 46.02183834 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 46.12 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -8.370000000000001 | RDKit |
| molecular_mass | 45.88 g/mol | Legacy Database |
| density | 2.14 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_peroxide None | Legacy Database |
| cas-canonical-smile | [Li]OO[Li] None | Legacy Database |
| cas-density | 2.14 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/2Li.O2/c;;1-2/q2*+1;-2 None | Legacy Database |
| cas-inchi-key | InChIKey=HPGPEWYJWRWDTP-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Lithium peroxide None | Legacy Database |
| wikipedia-name | Lithium peroxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 0.0 | RDKit |