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Calcium Nitrate Tetrahydrate
CAS: 13477-34-4 | H5CaNO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13477-34-4
Molecular Formula:
H5CaNO5
Molecular Mass:
139.12 g/mol
Names and Synonyms:
Calcium Nitrate Tetrahydrate
Nitric acid, calcium salt, tetrahydrate
Calcium nitrate tetrahydrate
Calcium dinitrate tetrahydrate
Nitric acid calcium salt (2:1) tetrahydrate
Calcium nitrate (Ca(NO3)2) tetrahydrate
Identifiers:
SMILES:
O.O.O=[N+]([O-])O.[Ca]
InChI:
InChI=1S/Ca.HNO3.2H2O/c;2-1(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 | 139.12 g/mol | CAS Common Chemistry |
| 138.97936324 g/mol | RDKit | |
| Canonical SMILES | [Ca].O=N(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Ca.HNO3.2H2O/c;2-1(3)4;;/h;(H,2,3,4);2*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YVQJVWVQLPSPHU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium nitrate tetrahydrate | 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 | -2.3779000000000003 | RDKit |
| Molar Refractivity | 21.7625 | RDKit |
