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Molecule
Terbium Nitrate Hexahydrate
CAS: 13451-19-9 · H5NO5Tb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13451-19-9
- Molecular Formula
- H5NO5Tb
- Molecular Mass
- 257.97 g/mol
Identifiers
CAS Registry Number
13451-19-9
SMILES
O.O.O=[N+]([O-])O.[Tb]
InChI Key
IAOUMGXUASKIBA-UHFFFAOYSA-N
InChI
InChI=1S/HNO3.2H2O.Tb/c2-1(3)4;;;/h(H,2,3,4);2*1H2;
Names and Synonyms
- Terbium Nitrate Hexahydrate Synonym
- Nitric acid, terbium(3+) salt, hexahydrate Synonym
- Terbium trinitrate hexahydrate Synonym
- Terbium nitrate (Tb(NO3)3) hexahydrate Synonym
- Terbium nitrate hexahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 257.97 g/mol | CAS Common Chemistry |
| 257.967 g/mol | RDKit | |
| 260.991 g/mol | chempirical lib | |
| Canonical SMILES | [Tb].O=N(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/HNO3.2H2O.Tb/c2-1(3)4;;;/h(H,2,3,4);2*1H2; | CAS Common Chemistry |
| InChI Key | InChIKey=IAOUMGXUASKIBA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Terbium 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 | 257.94211906000004 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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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 = 257.97 g/mol. Edit any field — others recompute live.
