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Molecule
Scandium Nitrate
CAS: 13465-60-6 · HNO3Sc
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13465-60-6
- Molecular Formula
- HNO3Sc
- Molecular Mass
- 107.97 g/mol
Identifiers
CAS Registry Number
13465-60-6
SMILES
O=[N+]([O-])O.[Sc]
InChI Key
SPSBXWARWOLNDA-UHFFFAOYSA-N
InChI
InChI=1S/HNO3.Sc/c2-1(3)4;/h(H,2,3,4);
Names and Synonyms
- Scandium Nitrate Synonym
- Nitric acid, scandium(3+) salt (3:1) Synonym
- Nitric acid, scandium(3+) salt Synonym
- Scandium nitrate Synonym
- Scandium nitrate (Sc(NO3)3) Synonym
- Scandium trinitrate Synonym
- Scandium(3+) nitrate Synonym
- Tris(nitrato-O,O′)scandium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 107.97 g/mol | CAS Common Chemistry |
| 107.96800000000002 g/mol | RDKit | |
| 107.968 g/mol | RDKit | |
| 110.992 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Scandium_nitrate | CAS Common Chemistry |
| Canonical SMILES | [Sc].O=N(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/HNO3.Sc/c2-1(3)4;/h(H,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=SPSBXWARWOLNDA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Scandium nitrate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.370000000000005 Ų | RDKit |
| 63.37 Ų | RDKit | |
| 58.53 Ų | chempirical lib | |
| LogP | -0.3502 | RDKit |
| Molar Refractivity | 8.7809 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 107.951554792 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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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MW = 107.97 g/mol. Edit any field — others recompute live.
