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Sodium Cyanate
CAS: 917-61-3 | CHNNaO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
917-61-3
Molecular Formula:
CHNNaO
Molecular Mass:
66.02 g/mol
Names and Synonyms:
Sodium Cyanate
Cyanic acid, sodium salt (1:1)
Sodium cyanate
Cyanic acid, sodium salt
Zassol
Sodium cyanate (NaOCN)
Sodium isocyanate
Sodium cyanate (NaNCO)
Sodium, (cyanato-κN)-
Identifiers:
SMILES:
N#CO.[Na]
InChI:
InChI=1S/CHNO.Na/c2-1-3;/h3H;
Key Properties
Melting Point
550 °C
CAS Common Chemistry
Density
1.89 g/cm³
CAS Common Chemistry
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 |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 66.02 g/mol | CAS Common Chemistry |
| 66.015 g/mol | RDKit | |
| 65.995582932 g/mol | RDKit | |
| Density | 1.89 g/cm³ | CAS Common Chemistry |
| 1.893 g/cm3 @ Temp: 204 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_cyanate | CAS Common Chemistry |
| Canonical SMILES | [Na].N#CO | CAS Common Chemistry |
| InChI | InChI=1S/CHNO.Na/c2-1-3;/h3H; | CAS Common Chemistry |
| InChI Key | InChIKey=VXCSPBPIGBJXJR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 550 °C | CAS Common Chemistry |
| Name | Sodium 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 |
| LogP | -0.54082 | RDKit |
| Molar Refractivity | 13.3028 | RDKit |
