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Monopotassium Phosphite
CAS: 13977-65-6 | H3KO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13977-65-6
Molecular Formula:
H3KO3P
Molecular Weight:
121.09299999999999 g/mol
Names and Synonyms:
Monopotassium Phosphite
Potassium phosphite (KH2PO3)
Foli-R-Fos
Potassium dihydrogen phosphite
Monopotassium phosphite
Monopotassium phosphonate
Potassium phosphite (KH2PO4)
Phosphonic acid, monopotassium salt
Phosphonic acid, potassium salt (1:1)
Identifiers:
SMILES:
O=[PH](O)O.[K]
InChI:
InChI=1S/K.H3O3P/c;1-4(2)3/h;4H,(H2,1,2,3)
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 | 121.09299999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 120.94568726600001 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 | 2 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 | 57.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.0201 | RDKit |
| molecular_mass | 121.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Monopotassium_phosphite None | Legacy Database |
| cas-canonical-smile | [K].O=P(O)O None | Legacy Database |
| cas-inchi | InChI=1S/K.H3O3P/c;1-4(2)3/h;4H,(H2,1,2,3) None | Legacy Database |
| cas-inchi-key | InChIKey=NALWAAAUJRFFJI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Potassium dihydrogen phosphite None | Legacy Database |
| wikipedia-name | Monopotassium phosphite None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.193099999999998 | RDKit |
