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Scandium
CAS: 7440-20-2 | Sc
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7440-20-2
Molecular Formula:
Sc
Molecular Mass:
44.96 g/mol
Names and Synonyms:
Scandium
Scandium
Scandium-45
Scandium element
Identifiers:
SMILES:
[Sc]
InChI:
InChI=1S/Sc
Key Properties
Melting Point
1400 °C
CAS Common Chemistry
Density
3.05 g/cm³
CAS Common Chemistry
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 |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 44.96 g/mol | CAS Common Chemistry |
| 44.956 g/mol | RDKit | |
| 44.9559119 g/mol | RDKit | |
| Density | 3.05 g/cm³ | CAS Common Chemistry |
| 3.05 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Sc] | CAS Common Chemistry |
| InChI | InChI=1S/Sc | CAS Common Chemistry |
| InChI Key | InChIKey=SIXSYDAISGFNSX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1400 °C | CAS Common Chemistry |
| Name | Scandium | 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 | -0.0025 | RDKit |
| Molar Refractivity | 0.0 | RDKit |
