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Molecule
Caesium Cyanide
CAS: 21159-32-0 · CCsN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 21159-32-0
- Molecular Formula
- CCsN
- Molecular Mass
- 158.92 g/mol
Identifiers
CAS Registry Number
21159-32-0
SMILES
[C]#N.[Cs]
InChI Key
URDDSQFRWKZOQO-UHFFFAOYSA-N
InChI
InChI=1S/CN.Cs/c1-2;
Names and Synonyms
- Caesium Cyanide Synonym
- Cesium cyanide (Cs(CN)) Synonym
- Cesium cyanide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.92 g/mol | CAS Common Chemistry |
| 158.923 g/mol | RDKit | |
| 160.939 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Caesium_cyanide | CAS Common Chemistry |
| Canonical SMILES | N#C[Cs] | CAS Common Chemistry |
| InChI | InChI=1S/CN.Cs/c1-2; | CAS Common Chemistry |
| InChI Key | InChIKey=URDDSQFRWKZOQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cesium cyanide (Cs(CN)) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | -0.28443 | RDKit |
| -0.2844 | RDKit | |
| Molar Refractivity | 10.722 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 158.9085259 g/mol | RDKit |
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
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MW = 158.92 g/mol. Edit any field — others recompute live.
