Back to Search
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 Weight:
44.956 g/mol
Names and Synonyms:
Scandium
Synonym
Scandium
Synonym
Scandium-45
Synonym
Scandium element
Synonym
Identifiers:
SMILES:
[Sc]
InChI:
InChI=1S/Sc
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 44.96 g/mol | Legacy Database |
| density | 3.05 g/cm³ | Legacy Database |
| cas-canonical-smile | [Sc] None | Legacy Database |
| cas-density | 3.05 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Sc None | Legacy Database |
| cas-inchi-key | InChIKey=SIXSYDAISGFNSX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 1400 °C None | Legacy Database |
| cas-name | Scandium None | Legacy Database |
| LogP | -0.0025 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 44.956 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 44.9559119 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 | 0.0 | RDKit |