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Molecule
Potassium Cyanate
CAS: 590-28-3 · CHKNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 590-28-3
- Molecular Formula
- CHKNO
- Molecular Mass
- 82.12 g/mol
Identifiers
CAS Registry Number
590-28-3
SMILES
N#CO.[K]
InChI Key
NRONKADYZCLPCM-UHFFFAOYSA-N
InChI
InChI=1S/CHNO.K/c2-1-3;/h3H;
Names and Synonyms
- Potassium Cyanate Synonym
- Cyanic acid, potassium salt (1:1) Synonym
- Cyanic acid, potassium salt Synonym
- Aero Cyanate Synonym
- Potassium cyanate Synonym
- Alicyanate Synonym
- Bulpur Synonym
- Isocyanic acid potassium salt Synonym
- Potassium isocyanate Synonym
- Potassium cyanate (KCNO) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 82.12 g/mol | CAS Common Chemistry |
| 82.123 g/mol | RDKit | |
| 83.131 g/mol | chempirical lib | |
| Density | 2.06 g/cm³ | CAS Common Chemistry |
| 2.056 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_cyanate | CAS Common Chemistry |
| Canonical SMILES | [K].N#CO | CAS Common Chemistry |
| InChI | InChI=1S/CHNO.K/c2-1-3;/h3H; | CAS Common Chemistry |
| InChI Key | InChIKey=NRONKADYZCLPCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 315 °C | CAS Common Chemistry |
| Name | Potassium cyanate | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.019999999999996 Ų | RDKit |
| 44.02 Ų | RDKit | |
| LogP | -0.54082 | RDKit |
| -0.5408 | RDKit | |
| Molar Refractivity | 13.3028 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 81.969520332 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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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Quick conversion
MW = 82.12 g/mol; density = 2.060 g/mL. Edit any field — others recompute live.
