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Phosphinic Acid, Nickel(2+) Salt, Hexahydrate
CAS: 13477-97-9 | H9NiO5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13477-97-9
Molecular Formula:
H9NiO5P
Molecular Mass:
178.73 g/mol
Names and Synonyms:
Phosphinic Acid, Nickel(2+) Salt, Hexahydrate
Phosphinic acid, nickel(2+) salt, hexahydrate
Nickel hypophosphite (Ni(H2PO2)2) hexahydrate
Nickel bis(hypophosphite) hexahydrate
Identifiers:
SMILES:
O.O.O.O=[PH2]O.[Ni]
InChI:
InChI=1S/Ni.H3O2P.3H2O/c;1-3-2;;;/h;3H2,(H,1,2);3*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 | 178.73 g/mol | CAS Common Chemistry |
| 178.73399999999998 g/mol | RDKit | |
| 177.954102918 g/mol | RDKit | |
| Canonical SMILES | [Ni].O=[PH2]O.O | CAS Common Chemistry |
| InChI | InChI=1S/Ni.H3O2P.3H2O/c;1-3-2;;;/h;3H2,(H,1,2);3*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AEODYXWAFBCASR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phosphinic acid, nickel(2+) salt, hexahydrate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 131.79999999999998 Ų | RDKit |
| LogP | -2.8266000000000004 | RDKit |
| Molar Refractivity | 23.456699999999998 | RDKit |
