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Molecule
Sodium Cyanate
CAS: 917-61-3 · CHNNaO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 917-61-3
- Molecular Formula
- CHNNaO
- Molecular Mass
- 66.02 g/mol
Identifiers
CAS Registry Number
917-61-3
SMILES
N#CO.[Na]
InChI Key
VXCSPBPIGBJXJR-UHFFFAOYSA-N
InChI
InChI=1S/CHNO.Na/c2-1-3;/h3H;
Names and Synonyms
- Sodium Cyanate Synonym
- Cyanic acid, sodium salt (1:1) Synonym
- Sodium cyanate Synonym
- Cyanic acid, sodium salt Synonym
- Zassol Synonym
- Sodium cyanate (NaOCN) Synonym
- Sodium isocyanate Synonym
- Sodium cyanate (NaNCO) Synonym
- Sodium, (cyanato-κN)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Sodium cyanate | CAS Common Chemistry |
| Molecular Mass | 66.02 g/mol | CAS Common Chemistry |
| 66.015 g/mol | RDKit | |
| 67.023 g/mol | chempirical lib | |
| Density | 1.89 g/cm³ | CAS Common Chemistry |
| 1.893 g/cm3 @ 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 |
| 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 | 65.995582932 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
100
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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 = 66.02 g/mol; density = 1.890 g/mL. Edit any field — others recompute live.
