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Molecule
Barium Selenide (Base)
CAS: 1304-39-8 · BaSe
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1304-39-8
- Molecular Formula
- BaSe
- Molecular Mass
- 216.29 g/mol
Identifiers
CAS Registry Number
1304-39-8
SMILES
[Ba].[Se]
InChI Key
YWDGEUIDOIIHTK-UHFFFAOYSA-N
InChI
InChI=1S/Ba.Se
Names and Synonyms
- Barium Selenide (Base) Common Name
- Barium selenide (BaSe) Synonym
- Barium selenide Synonym
- Barium monoselenide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.29 g/mol | CAS Common Chemistry |
| 217.8217685 g/mol | RDKit | |
| 216.288 g/mol | RDKit | |
| 220.319 g/mol | chempirical lib | |
| Canonical SMILES | [Se]=[Ba] | CAS Common Chemistry |
| InChI | InChI=1S/Ba.Se | CAS Common Chemistry |
| InChI Key | InChIKey=YWDGEUIDOIIHTK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium selenide (BaSe) | 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 | 0.0 Ų | RDKit |
| LogP | -0.7616 | RDKit |
| Molar Refractivity | 11.508 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 216.288 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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.
External Resources
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MW = 216.29 g/mol. Edit any field — others recompute live.
