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Barium Nitrate
CAS: 10022-31-8 | HBaNO3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
10022-31-8
Molecular Formula:
HBaNO3
Molecular Mass:
200.34 g/mol
Names and Synonyms:
Barium Nitrate
Nitric acid, barium salt (2:1)
Nitric acid, barium salt
Barium nitrate
Barium dinitrate
Barium nitrate (Ba(NO3)2)
Barium(II) nitrate
Identifiers:
SMILES:
O=[N+]([O-])O.[Ba]
InChI:
InChI=1S/Ba.HNO3/c;2-1(3)4/h;(H,2,3,4)
Key Properties
Melting Point
590 °C
CAS Common Chemistry
Density
3.24 g/cm³
CAS Common Chemistry
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 | 200.34 g/mol | CAS Common Chemistry |
| 200.900890092 g/mol | RDKit | |
| Density | 3.24 g/cm³ | CAS Common Chemistry |
| 3.24 g/cm3 @ Temp: 23 °C | CAS Common Chemistry | |
| Canonical SMILES | [Ba].O=N(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.HNO3/c;2-1(3)4/h;(H,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=APLQTTYBCHJFIJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 590 °C | CAS Common Chemistry |
| Name | Barium 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 |
| LogP | -0.7285000000000001 | RDKit |
| Molar Refractivity | 14.5349 | RDKit |
