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Molecule
Tripotassium Hexacyanocobaltate
CAS: 13963-58-1 · C6CoK3N6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13963-58-1
- Molecular Formula
- C6CoK3N6
- Molecular Mass
- 332.34 g/mol
Identifiers
CAS Registry Number
13963-58-1
SMILES
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Co+3].[K+].[K+].[K+]
InChI Key
LGRDAQPMSDIUQJ-UHFFFAOYSA-N
InChI
InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+1
Names and Synonyms
- Tripotassium Hexacyanocobaltate Common Name
- Cobaltate(3-), hexakis(cyano-κC)-, potassium (1:3), (OC-6-11)- Synonym
- Cobaltate(3-), hexacyano-, tripotassium Synonym
- Cobaltate(3-), hexakis(cyano-C)-, tripotassium, (OC-6-11)- Synonym
- Potassium cyanocobaltate(III) (K3[Co(CN)6]) Synonym
- Cobaltate(3-), hexakis(cyano-κC)-, tripotassium, (OC-6-11)- Synonym
- Potassium hexacyanocobaltate Synonym
- Tripotassium hexacyanocobaltate(III) Synonym
- Potassium cobalticyanide Synonym
- Tripotassium hexacyanocobaltate(3-) Synonym
- Potassium hexacyanocobaltate (K3Co(CN)6) Synonym
- Potassium hexacyanocobaltate(III) Synonym
- Tripotassium hexacyanocobaltate Synonym
- Potassium hexacyanocobaltate(3-) Synonym
- Cobalt potassium cyanide (CoK3(CN)6) Synonym
- NSC 4316 Synonym
- K3[Co(CN)6] Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 332.34 g/mol | CAS Common Chemistry |
| 332.33500000000004 g/mol | RDKit | |
| 332.335 g/mol | RDKit | |
| 343.423 g/mol | chempirical lib | |
| Canonical SMILES | [K+].N#[C-][Co+3]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[C-]#N | CAS Common Chemistry |
| InChI | InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+1 | CAS Common Chemistry |
| InChI Key | InChIKey=LGRDAQPMSDIUQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tripotassium hexacyanocobaltate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 142.73999999999998 Ų | RDKit |
| 142.74 Ų | RDKit | |
| LogP | -8.41228 | RDKit |
| -8.4123 | RDKit | |
| Molar Refractivity | 29.808 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 331.84275904 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 |
|---|
200 ppm
180
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140
120
100
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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.
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MW = 332.34 g/mol. Edit any field — others recompute live.
