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Barium Oxide
CAS: 1304-28-5 | BaO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1304-28-5
Molecular Formula:
BaO
Molecular Mass:
153.33 g/mol
Names and Synonyms:
Barium Oxide
Barium oxide (BaO)
Barium oxide
Barium monoxide
Baryta
Baria
Barium oxide (Ba2O2)
Identifiers:
SMILES:
[Ba].[O]
InChI:
InChI=1S/Ba.O
Key Properties
Boiling Point
2000 °C
CAS Common Chemistry
Melting Point
1923 °C
CAS Common Chemistry
Density
5.70 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 | 153.33 g/mol | CAS Common Chemistry |
| 153.327 g/mol | RDKit | |
| 153.90016182 g/mol | RDKit | |
| Density | 5.70 g/cm³ | CAS Common Chemistry |
| 5.7 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_oxide | CAS Common Chemistry |
| Boiling Point | 2000 °C | CAS Common Chemistry |
| Canonical SMILES | O=[Ba] | CAS Common Chemistry |
| InChI | InChI=1S/Ba.O | CAS Common Chemistry |
| InChI Key | InChIKey=QVQLCTNNEUAWMS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1923 °C | CAS Common Chemistry |
| Name | Barium oxide | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -0.49960000000000004 | RDKit |
| Molar Refractivity | 6.440499999999999 | RDKit |
