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Molecule
Potassium Superoxide
CAS: 12030-88-5 · KO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12030-88-5
- Molecular Formula
- KO2
- Molecular Mass
- 71.10 g/mol
Identifiers
CAS Registry Number
12030-88-5
SMILES
O=O.[K]
InChI Key
WSQUBOSQDXCTKZ-UHFFFAOYSA-N
InChI
InChI=1S/K.O2/c;1-2
Names and Synonyms
- Potassium Superoxide Common Name
- Potassium superoxide (K(O2)) Synonym
- Potassium superoxide Synonym
- Potassium dioxide Synonym
- Potassium oxide (KO2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 71.10 g/mol | CAS Common Chemistry |
| 71.096 g/mol | RDKit | |
| 72.104 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_superoxide | CAS Common Chemistry |
| Canonical SMILES | O=[O-][K+] | CAS Common Chemistry |
| InChI | InChI=1S/K.O2/c;1-2 | CAS Common Chemistry |
| InChI Key | InChIKey=WSQUBOSQDXCTKZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 490-530 °C | CAS Common Chemistry |
| Name | Potassium superoxide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | -0.3138 | RDKit |
| Molar Refractivity | 12.488 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 70.95353592000001 g/mol | RDKit |
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 = 71.10 g/mol. Edit any field — others recompute live.
