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Potassium Superoxide
CAS: 12030-88-5 | KO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12030-88-5
Molecular Formula:
KO2
Molecular Weight:
71.096 g/mol
Names and Synonyms:
Potassium Superoxide
Common Name
Potassium oxide (KO2)
Synonym
Potassium dioxide
Synonym
Potassium superoxide
Synonym
Potassium superoxide (K(O2))
Synonym
Identifiers:
SMILES:
O=O.[K]
InChI:
InChI=1S/K.O2/c;1-2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 71.10 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Potassium_superoxide None | Legacy Database |
| cas-canonical-smile | O=[O-][K+] None | Legacy Database |
| cas-inchi | InChI=1S/K.O2/c;1-2 None | Legacy Database |
| cas-inchi-key | InChIKey=WSQUBOSQDXCTKZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 490-530 °C None | Legacy Database |
| cas-name | Potassium superoxide None | Legacy Database |
| wikipedia-name | Potassium superoxide None | Legacy Database |
| LogP | -0.3138 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 71.096 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 70.95353592000001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 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 | 34.14 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.488 | RDKit |