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Molecule
Gadolinium Nitrate Hexahydrate
CAS: 19598-90-4 · H5GdNO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19598-90-4
- Molecular Formula
- H5GdNO5
- Molecular Mass
- 256.292 g/mol
Identifiers
CAS Registry Number
19598-90-4
SMILES
O.O.O=[N+]([O-])O.[Gd]
InChI Key
TUPKQTAKZFKQSC-UHFFFAOYSA-N
InChI
InChI=1S/Gd.HNO3.2H2O/c;2-1(3)4;;/h;(H,2,3,4);2*1H2
Names and Synonyms
- Gadolinium Nitrate Hexahydrate Common Name
- Nitric acid, gadolinium(3+) salt, hexahydrate Synonym
- Gadolinium trinitrate hexahydrate Synonym
- Gadolinium nitrate (Gd(NO3)3) hexahydrate Synonym
- Gadolinium nitrate hexahydrate Synonym
- Gadolinium (III) nitrate hexahydrate Synonym
- Gadolinium(III) nitrate hexahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Gd].O=N(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Gd.HNO3.2H2O/c;2-1(3)4;;/h;(H,2,3,4);2*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=TUPKQTAKZFKQSC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Gadolinium nitrate hexahydrate | CAS Common Chemistry |
| Molecular Mass | 256.292 g/mol | RDKit |
| 256.94087616 g/mol | RDKit | |
| 259.316 g/mol | chempirical lib | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 126.37 Ų | RDKit |
| LogP | -1.9971 | RDKit |
| Molar Refractivity | 16.008499999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 256.29 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 256.29 g/mol. Edit any field — others recompute live.
