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Sodium Hypophosphite Monohydrate
CAS: 10039-56-2 | H5NaO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10039-56-2
Molecular Formula:
H5NaO3P
Molecular Weight:
107.00099999999999 g/mol
Names and Synonyms:
Sodium Hypophosphite Monohydrate
Phosphinic acid, sodium salt, hydrate (1:1:1)
Phosphonous acid, monosodium salt, monohydrate
Sodium hypophosphite monohydrate
Phosphinic acid, sodium salt, monohydrate
Identifiers:
SMILES:
O.O=[PH2]O.[Na]
InChI:
InChI=1S/Na.H3O2P.H2O/c;1-3-2;/h;3H2,(H,1,2);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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 107.00099999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 106.98739993 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 68.8 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.5555 | RDKit |
| molecular_mass | 107.00 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=[PH2]O.O None | Legacy Database |
| cas-inchi | InChI=1S/Na.H3O2P.H2O/c;1-3-2;/h;3H2,(H,1,2);1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=QPTNVLKFMLEXEM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium hypophosphite monohydrate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.983099999999997 | RDKit |
