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Selenium
CAS: 7782-49-2 | Se
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7782-49-2
Molecular Formula:
Se
Molecular Weight:
78.96 g/mol
Names and Synonyms:
Selenium
Common Name
Serendipita MKCA6-3
Synonym
Selsaf 2000
Synonym
Selenium (Se)
Synonym
B-TRAXIM Se
Synonym
C.I. 77805
Synonym
Selenium
Synonym
Identifiers:
SMILES:
[Se]
InChI:
InChI=1S/Se
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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120
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| 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 | 78.96 g/mol | Legacy Database |
| density | 4.80 g/cm³ | Legacy Database |
| cas-boiling-point | 685 °C None | Legacy Database |
| cas-canonical-smile | [Se] None | Legacy Database |
| cas-density | 4.8 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Se None | Legacy Database |
| cas-inchi-key | InChIKey=BUGBHKTXTAQXES-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 170-217 °C None | Legacy Database |
| cas-name | Selenium None | Legacy Database |
| LogP | -0.3808 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 78.96 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 79.9165213 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.754 | RDKit |