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Molecule
Barium Hydride
CAS: 13477-09-3 · H2Ba
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13477-09-3
- Molecular Formula
- H2Ba
- Molecular Mass
- 139.34400000000002 g/mol
Identifiers
CAS Registry Number
13477-09-3
SMILES
[Ba].[H].[H]
InChI Key
MUBOSUMMMUSVEO-UHFFFAOYSA-N
InChI
InChI=1S/Ba.2H
Names and Synonyms
- Barium Hydride Synonym
- Barium hydride (BaH2) Synonym
- Barium dihydride Synonym
- Barium hydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_hydride | CAS Common Chemistry |
| Canonical SMILES | [BaH2] | CAS Common Chemistry |
| InChI | InChI=1S/Ba.2H | CAS Common Chemistry |
| InChI Key | InChIKey=MUBOSUMMMUSVEO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium hydride (BaH2) | CAS Common Chemistry |
| Barium hydride | CAS Common Chemistry | |
| Molecular Mass | 139.34400000000002 g/mol | RDKit |
| 139.920897264 g/mol | RDKit | |
| 139.344 g/mol | RDKit | |
| 141.359 g/mol | chempirical lib | |
| Heavy Atom Count | 1 | 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 | -0.15580000000000005 | RDKit |
| -0.1558 | RDKit | |
| Molar Refractivity | 7.978 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 139.34 g/mol | CAS Common Chemistry |
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
80
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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MW = 139.34 g/mol. Edit any field — others recompute live.
