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Ruthenium Nitrosyl Nitrate
CAS: 34513-98-9 | N4O10Ru
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34513-98-9
Molecular Formula:
N4O10Ru
Molecular Mass:
317.09 g/mol
Names and Synonyms:
Ruthenium Nitrosyl Nitrate
Ruthenium, tris(nitrato-κO)nitrosyl-
Ruthenium, trinitratonitrosyl-
Ruthenium, tris(nitrato-O)nitrosyl-
Tris(nitrato-κO)nitrosylruthenium
Trinitratonitrosoruthenium
Ruthenium nitrosyl nitrate
Trinitratonitrosylruthenium
Ruthenium(III) nitrosyl nitrate
Identifiers:
SMILES:
N#[O+].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ru+2]
InChI:
InChI=1S/3NO3.NO.Ru/c3*2-1(3)4;1-2;/q3*-1;+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 | 317.09 g/mol | CAS Common Chemistry |
| 317.08799999999997 g/mol | RDKit | |
| 317.8657915 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)[O-][Ru+2]([N]#[O+])([O-]N(=O)=O)[O-]N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/3NO3.NO.Ru/c3*2-1(3)4;1-2;/q3*-1;+1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=WOSOOWIGVAKGOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ruthenium nitrosyl nitrate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 242.29 Ų | RDKit |
| LogP | -0.8235200000000001 | RDKit |
| Molar Refractivity | 33.49570000000001 | RDKit |
