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Molecule
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
Identifiers
CAS Registry Number
1304-28-5
SMILES
[Ba].[O]
InChI Key
QVQLCTNNEUAWMS-UHFFFAOYSA-N
InChI
InChI=1S/Ba.O
Names and Synonyms
- Barium Oxide Common Name
- Barium oxide (BaO) Synonym
- Barium oxide Synonym
- Barium monoxide Synonym
- Baryta Synonym
- Baria Synonym
- Barium oxide (Ba2O2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.33 g/mol | CAS Common Chemistry |
| 153.90016182 g/mol | RDKit | |
| 153.327 g/mol | RDKit | |
| 157.358 g/mol | chempirical lib | |
| 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 |
| -0.4996 | RDKit | |
| Molar Refractivity | 6.440499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 153.327 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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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 = 153.33 g/mol; density = 5.700 g/mL. Edit any field — others recompute live.
