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Molecule
Barium Silicide (Basi2)
CAS: 1304-40-1 · BaSi2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1304-40-1
- Molecular Formula
- BaSi2
- Molecular Mass
- 193.5 g/mol
Identifiers
CAS Registry Number
1304-40-1
SMILES
[Ba].[Si].[Si]
InChI Key
LRWFHMQRFHXGKQ-UHFFFAOYSA-N
InChI
InChI=1S/Ba.2Si
Names and Synonyms
- Barium Silicide (Basi2) Common Name
- Barium silicide (BaSi2) Synonym
- Barium disilicide Synonym
- Barium silicide (Ba2Si4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Si]#[Ba]#[Si] | CAS Common Chemistry |
| InChI | InChI=1S/Ba.2Si | CAS Common Chemistry |
| InChI Key | InChIKey=LRWFHMQRFHXGKQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium silicide (BaSi2) | CAS Common Chemistry |
| Molecular Mass | 193.5 g/mol | RDKit |
| 193.85910026 g/mol | RDKit | |
| 203.579 g/mol | chempirical lib | |
| Heavy Atom Count | 3 | 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 | -1.1424 | RDKit |
| Molar Refractivity | 17.262 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 193.50 g/mol | CAS Common Chemistry |
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 |
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200 ppm
180
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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 = 193.50 g/mol. Edit any field — others recompute live.
