Back to Search
Molecule
Barium Nitrate
CAS: 10022-31-8 · HBaNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10022-31-8
- Molecular Formula
- HBaNO3
- Molecular Mass
- 200.34 g/mol
Identifiers
CAS Registry Number
10022-31-8
SMILES
O=[N+]([O-])O.[Ba]
InChI Key
APLQTTYBCHJFIJ-UHFFFAOYSA-N
InChI
InChI=1S/Ba.HNO3/c;2-1(3)4/h;(H,2,3,4)
Names and Synonyms
- Barium Nitrate Common Name
- Nitric acid, barium salt (2:1) Synonym
- Nitric acid, barium salt Synonym
- Barium nitrate Synonym
- Barium dinitrate Synonym
- Barium nitrate (Ba(NO3)2) Synonym
- Barium(II) nitrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 3.24 g/cm³ | CAS Common Chemistry |
| 3.24 g/cm3 @ 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 |
| Molecular Mass | 200.34 g/mol | RDKit |
| 200.900890092 g/mol | RDKit | |
| 202.355 g/mol | chempirical lib | |
| 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 | 200.34 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 200.34 g/mol; density = 3.240 g/mL. Edit any field — others recompute live.
