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Yttrium Nitrate Hexahydrate
CAS: 13494-98-9 | H5NO5Y
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13494-98-9
Molecular Formula:
H5NO5Y
Molecular Mass:
187.95 g/mol
Names and Synonyms:
Yttrium Nitrate Hexahydrate
Nitric acid, yttrium(3+) salt, hexahydrate
Yttrium trinitrate hexahydrate
Yttrium nitrate hexahydrate
Yttrium(III) nitrate hexahydrate
Identifiers:
SMILES:
O.O.O=[N+]([O-])O.[Y]
InChI:
InChI=1S/HNO3.2H2O.Y/c2-1(3)4;;;/h(H,2,3,4);2*1H2;
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 | 187.95 g/mol | CAS Common Chemistry |
| 187.94799999999998 g/mol | RDKit | |
| 187.92262056 g/mol | RDKit | |
| Canonical SMILES | [Y].O=N(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/HNO3.2H2O.Y/c2-1(3)4;;;/h(H,2,3,4);2*1H2; | CAS Common Chemistry |
| InChI Key | InChIKey=USGBKDDWUYLLEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Yttrium 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 | -1.9996 | RDKit |
| Molar Refractivity | 16.008499999999998 | RDKit |
