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Mercury Oxycyanide
CAS: 1335-31-5 | C2Hg2N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1335-31-5
Molecular Formula:
C2Hg2N2O
Molecular Mass:
469.22 g/mol
Names and Synonyms:
Mercury Oxycyanide
Mercury cyanide oxide (Hg2(CN)2O)
Mercury cyanide oxide (Hg2O(CN)2)
Mercuric oxycyanide
Mercury oxycyanide
Identifiers:
SMILES:
[C]#N.[C]#N.[Hg].[Hg].[O]
InChI:
InChI=1S/2CN.2Hg.O/c2*1-2;;;
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 | 469.22 g/mol | CAS Common Chemistry |
| 469.21500000000003 g/mol | RDKit | |
| 471.94234861999996 g/mol | RDKit | |
| 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 |
| Mercury oxycyanide | 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 |
| Molar Refractivity | 10.6225 | RDKit |
