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Molecule
Mercury Oxycyanide
CAS: 1335-31-5 · C2Hg2N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1335-31-5
- Molecular Formula
- C2Hg2N2O
- Molecular Mass
- 469.22 g/mol
Identifiers
CAS Registry Number
1335-31-5
SMILES
[C]#N.[C]#N.[Hg].[Hg].[O]
InChI Key
FWJGYFKCKCRGIV-UHFFFAOYSA-N
InChI
InChI=1S/2CN.2Hg.O/c2*1-2;;;
Names and Synonyms
- Mercury Oxycyanide Synonym
- Mercury cyanide oxide (Hg2(CN)2O) Synonym
- Mercury cyanide oxide (Hg2O(CN)2) Synonym
- Mercuric oxycyanide Synonym
- Mercury oxycyanide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 469.22 g/mol | CAS Common Chemistry |
| 469.21500000000003 g/mol | RDKit | |
| 471.94234861999996 g/mol | RDKit | |
| 475.267 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Mercury_oxycyanide | CAS Common Chemistry |
| Canonical SMILES | N#C[Hg]O[Hg]C#N | CAS Common Chemistry |
| InChI | InChI=1S/2CN.2Hg.O/c2*1-2;;; | CAS Common Chemistry |
| InChI Key | InChIKey=FWJGYFKCKCRGIV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Mercury cyanide oxide (Hg2(CN)2O) | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.08 Ų | RDKit |
| LogP | 0.06893999999999999 | RDKit |
| 0.0689 | RDKit | |
| Molar Refractivity | 10.6225 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 469.215 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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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 469.22 g/mol. Edit any field — others recompute live.
