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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 Weight:
42.09400000000001 g/mol
Names and Synonyms:
Calcium Hydride
Common Name
Calcium hydride
Synonym
Calcium dihydride
Synonym
Calcium hydride (CaH2)
Synonym
Identifiers:
SMILES:
[Ca].[H].[H]
InChI:
InChI=1S/Ca.2H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 42.09400000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 41.978241044 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 1 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.15580000000000005 | RDKit |
| molecular_mass | 42.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_hydride None | Legacy Database |
| cas-canonical-smile | [CaH2] None | Legacy Database |
| cas-inchi | InChI=1S/Ca.2H None | Legacy Database |
| cas-inchi-key | InChIKey=FAQLAUHZSGTTLN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Calcium hydride None | Legacy Database |
| wikipedia-name | Calcium hydride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.978 | RDKit |