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Molecule
Nitrous Acid, Cesium Salt (1:1)
CAS: 13454-83-6 · HCsNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13454-83-6
- Molecular Formula
- HCsNO2
- Molecular Mass
- 179.92 g/mol
Identifiers
CAS Registry Number
13454-83-6
SMILES
O=NO.[Cs]
InChI Key
IROFTSFLLUTZCJ-UHFFFAOYSA-N
InChI
InChI=1S/Cs.HNO2/c;2-1-3/h;(H,2,3)
Names and Synonyms
- Nitrous Acid, Cesium Salt (1:1) Synonym
- Nitrous acid, cesium salt (1:1) Synonym
- Nitrous acid, cesium salt Synonym
- Cesium nitrite (CsNO2) Synonym
- Cesium nitrite Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 179.92 g/mol | CAS Common Chemistry |
| 179.918 g/mol | RDKit | |
| 180.926 g/mol | chempirical lib | |
| Canonical SMILES | [Cs].O=NO | CAS Common Chemistry |
| InChI | InChI=1S/Cs.HNO2/c;2-1-3/h;(H,2,3) | CAS Common Chemistry |
| InChI Key | InChIKey=IROFTSFLLUTZCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 375 °C | CAS Common Chemistry |
| Name | Nitrous acid, cesium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | -0.2388 | RDKit |
| Molar Refractivity | 13.3355 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 179.906180172 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
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 = 179.92 g/mol. Edit any field — others recompute live.
