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Calcium Monosilicide
CAS: 12013-55-7 | CaSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12013-55-7
Molecular Formula:
CaSi
Molecular Weight:
68.164 g/mol
Names and Synonyms:
Calcium Monosilicide
Common Name
Calcium monosilicide
Synonym
Calcium silicide (CaSi)
Synonym
Identifiers:
SMILES:
[Ca].[Si]
InChI:
InChI=1S/Ca.Si
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 68.16 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_monosilicide None | Legacy Database |
| cas-canonical-smile | [Si]#[Ca] None | Legacy Database |
| cas-inchi | InChI=1S/Ca.Si None | Legacy Database |
| cas-inchi-key | InChIKey=OSMSIOKMMFKNIL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 1315 °C None | Legacy Database |
| cas-name | Calcium silicide (CaSi) None | Legacy Database |
| wikipedia-name | Calcium monosilicide None | Legacy Database |
| LogP | -0.7616 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 68.164 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 67.93951751 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 11.508 | RDKit |