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Molecule
Neodymium Nitrate Hexahydrate
CAS: 16454-60-7 · H5NNdO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16454-60-7
- Molecular Formula
- H5NNdO5
- Molecular Mass
- 243.28 g/mol
Identifiers
CAS Registry Number
16454-60-7
SMILES
O.O.O=[N+]([O-])O.[Nd]
InChI Key
NICJPVNPXRWOOS-UHFFFAOYSA-N
InChI
InChI=1S/HNO3.Nd.2H2O/c2-1(3)4;;;/h(H,2,3,4);;2*1H2
Names and Synonyms
- Neodymium Nitrate Hexahydrate Common Name
- Nitric acid, neodymium(3+) salt, hexahydrate Synonym
- Neodymium trinitrate hexahydrate Synonym
- Neodymium nitrate (Nd(NO3)3) hexahydrate Synonym
- Neodymium nitrate monohydrate Synonym
- Neodymium nitrate hexahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 243.28 g/mol | CAS Common Chemistry |
| 243.28199999999998 g/mol | RDKit | |
| 243.282 g/mol | RDKit | |
| 246.308 g/mol | chempirical lib | |
| Density | 2.26 g/cm³ | CAS Common Chemistry |
| 2.26 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Nd].O=N(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/HNO3.Nd.2H2O/c2-1(3)4;;;/h(H,2,3,4);;2*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NICJPVNPXRWOOS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Neodymium nitrate 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 | 240.92449556 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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60
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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.
External Resources
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MW = 243.28 g/mol; density = 2.260 g/mL. Edit any field — others recompute live.
