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Molecule
Beryllium Boride (Beb2)
CAS: 12228-40-9 · B2Be
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12228-40-9
- Molecular Formula
- B2Be
- Molecular Mass
- 30.64 g/mol
Identifiers
CAS Registry Number
12228-40-9
SMILES
[B].[B].[Be]
InChI Key
MZRYMKKMISBRKK-UHFFFAOYSA-N
InChI
InChI=1S/2B.Be
Names and Synonyms
- Beryllium Boride (Beb2) Synonym
- Beryllium boride (BeB2) Synonym
- Beryllium diboride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 30.64 g/mol | CAS Common Chemistry |
| 31.030793000000003 g/mol | RDKit | |
| 30.636 g/mol | RDKit | |
| Canonical SMILES | B#[Be]#B | CAS Common Chemistry |
| InChI | InChI=1S/2B.Be | CAS Common Chemistry |
| InChI Key | InChIKey=MZRYMKKMISBRKK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Beryllium boride (BeB2) | CAS Common Chemistry |
| 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 | 30.636 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
160
140
120
100
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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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MW = 30.64 g/mol. Edit any field — others recompute live.
