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Molecule
Monopotassium Phosphite
CAS: 13977-65-6 · H3KO3P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13977-65-6
- Molecular Formula
- H3KO3P
- Molecular Mass
- 121.09 g/mol
Identifiers
CAS Registry Number
13977-65-6
SMILES
O=[PH](O)O.[K]
InChI Key
NALWAAAUJRFFJI-UHFFFAOYSA-N
InChI
InChI=1S/K.H3O3P/c;1-4(2)3/h;4H,(H2,1,2,3)
Names and Synonyms
- Monopotassium Phosphite Common Name
- Phosphonic acid, potassium salt (1:1) Synonym
- Phosphonic acid, monopotassium salt Synonym
- Potassium phosphite (KH2PO4) Synonym
- Monopotassium phosphonate Synonym
- Monopotassium phosphite Synonym
- Potassium dihydrogen phosphite Synonym
- Foli-R-Fos Synonym
- Potassium phosphite (KH2PO3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.09 g/mol | CAS Common Chemistry |
| 121.09299999999999 g/mol | RDKit | |
| 121.093 g/mol | RDKit | |
| 122.101 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Monopotassium_phosphite | CAS Common Chemistry |
| Canonical SMILES | [K].O=P(O)O | CAS Common Chemistry |
| InChI | InChI=1S/K.H3O3P/c;1-4(2)3/h;4H,(H2,1,2,3) | CAS Common Chemistry |
| InChI Key | InChIKey=NALWAAAUJRFFJI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium dihydrogen phosphite | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -1.0201 | RDKit |
| Molar Refractivity | 19.193099999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 120.94568726600001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 121.09 g/mol. Edit any field — others recompute live.
