Back to Search
Molecule
Lithium Peroxide
CAS: 12031-80-0 · Li2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12031-80-0
- Molecular Formula
- Li2O2
- Molecular Mass
- 45.88 g/mol
Identifiers
CAS Registry Number
12031-80-0
SMILES
[Li+].[Li+].[O-][O-]
InChI Key
HPGPEWYJWRWDTP-UHFFFAOYSA-N
InChI
InChI=1S/2Li.O2/c;;1-2/q2*+1;-2
Names and Synonyms
- Lithium Peroxide Common Name
- Lithium peroxide (Li2(O2)) Synonym
- Lithium oxide (Li2O2) Synonym
- Lithium peroxide Synonym
- Dilithium peroxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 2.14 g/cm³ | CAS Common Chemistry |
| 2.14 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_peroxide | CAS Common Chemistry |
| Canonical SMILES | [Li]OO[Li] | CAS Common Chemistry |
| InChI | InChI=1S/2Li.O2/c;;1-2/q2*+1;-2 | CAS Common Chemistry |
| InChI Key | InChIKey=HPGPEWYJWRWDTP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium peroxide | CAS Common Chemistry |
| Molecular Mass | 45.88 g/mol | RDKit |
| 46.02183834 g/mol | RDKit | |
| 49.912 g/mol | chempirical lib | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.12 Ų | RDKit |
| LogP | -8.370000000000001 | RDKit |
| -8.37 | RDKit | |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 45.88 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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 |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 45.88 g/mol; density = 2.140 g/mL. Edit any field — others recompute live.
