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Molecule
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 Mass
- 78.96 g/mol
Identifiers
CAS Registry Number
7782-49-2
SMILES
[Se]
InChI Key
BUGBHKTXTAQXES-UHFFFAOYSA-N
InChI
InChI=1S/Se
Names and Synonyms
- Selenium Common Name
- Selenium Synonym
- C.I. 77805 Synonym
- B-TRAXIM Se Synonym
- Selenium (Se) Synonym
- Selsaf 2000 Synonym
- Serendipita MKCA6-3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 4.80 g/cm³ | CAS Common Chemistry |
| 4.8 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 685 °C | CAS Common Chemistry |
| Canonical SMILES | [Se] | CAS Common Chemistry |
| InChI | InChI=1S/Se | CAS Common Chemistry |
| InChI Key | InChIKey=BUGBHKTXTAQXES-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170-217 °C | CAS Common Chemistry |
| Name | Selenium | CAS Common Chemistry |
| Molecular Mass | 78.96 g/mol | RDKit |
| 79.9165213 g/mol | RDKit | |
| 80.976 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 | -0.3808 | RDKit |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 78.96 g/mol | CAS Common Chemistry |
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 = 78.96 g/mol; density = 4.800 g/mL. Edit any field — others recompute live.
