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Neodymium Nitrate Hexahydrate
CAS: 16454-60-7 | H5NNdO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16454-60-7
Molecular Formula:
H5NNdO5
Molecular Mass:
243.28 g/mol
Names and Synonyms:
Neodymium Nitrate Hexahydrate
Nitric acid, neodymium(3+) salt, hexahydrate
Neodymium trinitrate hexahydrate
Neodymium nitrate (Nd(NO3)3) hexahydrate
Neodymium nitrate monohydrate
Neodymium nitrate hexahydrate
Identifiers:
SMILES:
O.O.O=[N+]([O-])O.[Nd]
InChI:
InChI=1S/HNO3.Nd.2H2O/c2-1(3)4;;;/h(H,2,3,4);;2*1H2
Key Properties
Density
2.26 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 243.28 g/mol | CAS Common Chemistry |
| 243.28199999999998 g/mol | RDKit | |
| 240.92449556 g/mol | RDKit | |
| 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 | RDKit |
