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Molecule
Calcium Hydride
CAS: 7789-78-8 · H2Ca
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7789-78-8
- Molecular Formula
- H2Ca
- Molecular Mass
- 42.09 g/mol
Identifiers
CAS Registry Number
7789-78-8
SMILES
[Ca].[H].[H]
InChI Key
FAQLAUHZSGTTLN-UHFFFAOYSA-N
InChI
InChI=1S/Ca.2H
Names and Synonyms
- Calcium Hydride Common Name
- Calcium hydride (CaH2) Synonym
- Calcium dihydride Synonym
- Calcium hydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 42.09 g/mol | CAS Common Chemistry |
| 42.09400000000001 g/mol | RDKit | |
| 42.094 g/mol | RDKit | |
| 44.11 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_hydride | CAS Common Chemistry |
| Canonical SMILES | [CaH2] | CAS Common Chemistry |
| InChI | InChI=1S/Ca.2H | CAS Common Chemistry |
| InChI Key | InChIKey=FAQLAUHZSGTTLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium hydride | CAS Common Chemistry |
| 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 | 41.978241044 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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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Quick conversion
MW = 42.09 g/mol. Edit any field — others recompute live.
