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Dipotassium Hydrogen Phosphate Trihydrate
CAS: 16788-57-1 | H9K2O7P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16788-57-1
Molecular Formula:
H9K2O7P
Molecular Mass:
230.23 g/mol
Names and Synonyms:
Dipotassium Hydrogen Phosphate Trihydrate
Phosphoric acid, dipotassium salt, trihydrate
Dipotassium hydrogen phosphate (K2HPO4) trihydrate
Dipotassium monophosphate trihydrate
Dipotassium hydrogen phosphate trihydrate
Identifiers:
SMILES:
O.O.O.O=P(O)(O)O.[K].[K]
InChI:
InChI=1S/2K.H3O4P.3H2O/c;;1-5(2,3)4;;;/h;;(H3,1,2,3,4);3*1H2
Key Properties
Melting Point
53 °C
CAS Common Chemistry
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 | 230.23 g/mol | CAS Common Chemistry |
| 230.235 g/mol | RDKit | |
| 229.936002618 g/mol | RDKit | |
| Canonical SMILES | [K].O=P(O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/2K.H3O4P.3H2O/c;;1-5(2,3)4;;;/h;;(H3,1,2,3,4);3*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KAVZEOQRVQPRQV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 53 °C | CAS Common Chemistry |
| Name | Dipotassium hydrogen phosphate trihydrate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 172.25999999999996 Ų | RDKit |
| LogP | -4.1643 | RDKit |
| Molar Refractivity | 36.612300000000005 | RDKit |
