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Molecule
Sodium Nitrate
CAS: 7631-99-4 · HNNaO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7631-99-4
- Molecular Formula
- HNNaO3
- Molecular Mass
- 86.00 g/mol
Identifiers
CAS Registry Number
7631-99-4
SMILES
O=[N+]([O-])O.[Na]
InChI Key
GTTYPHLDORACJW-UHFFFAOYSA-N
InChI
InChI=1S/HNO3.Na/c2-1(3)4;/h(H,2,3,4);
Names and Synonyms
- Sodium Nitrate Synonym
- Nitric acid sodium salt (1:1) Synonym
- Nitric acid sodium salt Synonym
- Sodium nitrate (1:1) Synonym
- Soda niter Synonym
- Sodium nitrate Synonym
- Saltpeter (Chile) Synonym
- Chile saltpeter Synonym
- Nitric acid, sodium salt Synonym
- E 251 Synonym
- Chile niter Synonym
- Niter (Chile) Synonym
- Na2NO3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.00 g/mol | CAS Common Chemistry |
| 86.00200000000001 g/mol | RDKit | |
| 86.002 g/mol | RDKit | |
| 87.01 g/mol | chempirical lib | |
| Density | 2.26 g/cm³ | CAS Common Chemistry |
| 2.26 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_nitrate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=N(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/HNO3.Na/c2-1(3)4;/h(H,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=GTTYPHLDORACJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 308 °C | CAS Common Chemistry |
| Name | Sodium nitrate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.370000000000005 Ų | RDKit |
| 63.37 Ų | RDKit | |
| 58.53 Ų | chempirical lib | |
| LogP | -0.7285000000000001 | RDKit |
| -0.7285 | RDKit | |
| Molar Refractivity | 14.5349 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 85.98541217200001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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Quick conversion
MW = 86.00 g/mol; density = 2.260 g/mL. Edit any field — others recompute live.
