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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 Weight:
153.327 g/mol
Names and Synonyms:
Barium Oxide
Barium oxide (Ba2O2)
Baria
Baryta
Barium monoxide
Barium oxide
Barium oxide (BaO)
Identifiers:
SMILES:
[Ba].[O]
InChI:
InChI=1S/Ba.O
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.33 g/mol | Legacy Database |
| density | 5.70 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Barium_oxide | Legacy Database | |
| cas-boiling-point | 2000 °C | Legacy Database | |
| cas-canonical-smile | O=[Ba] | Legacy Database | |
| cas-density | 5.7 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/Ba.O | Legacy Database | |
| cas-inchi-key | InChIKey=QVQLCTNNEUAWMS-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 1923 °C | Legacy Database | |
| cas-name | Barium oxide | Legacy Database | |
| wikipedia-name | Barium oxide | Legacy Database | |
| LogP | -0.49960000000000004 | RDKit | |
| Molecular | Molecular Weight | 153.327 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.90016182 g/mol | RDKit |
| Heavy | Heavy Atom Count | 2 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 28.5 Ų | RDKit |
| Molar | Molar Refractivity | 6.440499999999999 | RDKit |
