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Magnesium Hydrogen Phosphate Trihydrate
CAS: 7782-75-4 | H9MgO7P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7782-75-4
Molecular Formula:
H9MgO7P
Molecular Mass:
176.34 g/mol
Names and Synonyms:
Magnesium Hydrogen Phosphate Trihydrate
Phosphoric acid, magnesium salt (1:1), trihydrate
Dibasic magnesium phosphate trihydrate
Magnesium dibasic phosphate trihydrate
Magnesium hydrogen phosphate trihydrate
Magnesium phosphate (MgHPO4) trihydrate
Magnesium monohydrogen phosphate (MgHPO4) trihydrate
Magnesium monohydrogen phosphate trihydrate
Magnesium hydrogen phosphate (MgHPO4) trihydrate
Dimagnesium phosphate trihydrate
Budit 229
Identifiers:
SMILES:
O.O.O.O=P(O)(O)O.[Mg]
InChI:
InChI=1S/Mg.H3O4P.3H2O/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);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 | 176.34 g/mol | CAS Common Chemistry |
| 176.34400000000002 g/mol | RDKit | |
| 175.993630958 g/mol | RDKit | |
| Canonical SMILES | [Mg].O=P(O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Mg.H3O4P.3H2O/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);3*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UJVVJPYNJUFDJP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Magnesium hydrogen phosphate trihydrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | -3.7835000000000005 | RDKit |
| Molar Refractivity | 30.858299999999996 | RDKit |
