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Molecule
Ruthenium Nitrosyl Nitrate
CAS: 34513-98-9 · N4O10Ru
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 34513-98-9
- Molecular Formula
- N4O10Ru
- Molecular Mass
- 317.09 g/mol
Identifiers
CAS Registry Number
34513-98-9
SMILES
N#[O+].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ru+2]
InChI Key
WOSOOWIGVAKGOC-UHFFFAOYSA-N
InChI
InChI=1S/3NO3.NO.Ru/c3*2-1(3)4;1-2;/q3*-1;+1;+2
Names and Synonyms
- Ruthenium Nitrosyl Nitrate Synonym
- Ruthenium, tris(nitrato-κO)nitrosyl- Synonym
- Ruthenium, trinitratonitrosyl- Synonym
- Ruthenium, tris(nitrato-O)nitrosyl- Synonym
- Tris(nitrato-κO)nitrosylruthenium Synonym
- Trinitratonitrosoruthenium Synonym
- Ruthenium nitrosyl nitrate Synonym
- Trinitratonitrosylruthenium Synonym
- Ruthenium(III) nitrosyl nitrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 317.09 g/mol | CAS Common Chemistry |
| 317.8657915 g/mol | RDKit | |
| 317.088 g/mol | RDKit | |
| 322.128 g/mol | chempirical lib | |
| 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 |
| -0.8235 | RDKit | |
| Molar Refractivity | 33.49570000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 317.08799999999997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 317.09 g/mol. Edit any field — others recompute live.
