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Molecule
Praseodymium Trinitrate Hexahydrate
CAS: 15878-77-0 · H5NO5Pr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15878-77-0
- Molecular Formula
- H5NO5Pr
- Molecular Mass
- 239.95 g/mol
Identifiers
CAS Registry Number
15878-77-0
SMILES
O.O.O=[N+]([O-])O.[Pr]
InChI Key
KKSDORRQXKPNNK-UHFFFAOYSA-N
InChI
InChI=1S/HNO3.2H2O.Pr/c2-1(3)4;;;/h(H,2,3,4);2*1H2;
Names and Synonyms
- Praseodymium Trinitrate Hexahydrate Synonym
- Nitric acid, praseodymium(3+) salt, hexahydrate Synonym
- Praseodymium trinitrate hexahydrate Synonym
- Praseodymium nitrate (Pr(NO3)3), hexahydrate Synonym
- Praseodymium nitrate hexahydrate Synonym
- Praseodymium(III) nitrate hexahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 239.95 g/mol | CAS Common Chemistry |
| 242.974 g/mol | chempirical lib | |
| Canonical SMILES | [Pr].O=N(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/HNO3.2H2O.Pr/c2-1(3)4;;;/h(H,2,3,4);2*1H2; | CAS Common Chemistry |
| InChI Key | InChIKey=KKSDORRQXKPNNK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Praseodymium trinitrate hexahydrate | CAS Common Chemistry |
| 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 | 239.92442506 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 239.95 g/mol. Edit any field — others recompute live.
