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Monomagnesium Phosphate
CAS: 13092-66-5 | H3MgO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13092-66-5
Molecular Formula:
H3MgO4P
Molecular Mass:
122.30 g/mol
Names and Synonyms:
Monomagnesium Phosphate
Phosphoric acid, magnesium salt (2:1)
Magnesium phosphate (Mg(H2PO4)2)
Magnesium dihydrogen phosphate
Magnesium hydrogen phosphate (MgH4(PO4)2)
Magnesium biphosphate
Magnesium phosphate (1:2)
Primary magnesium phosphate
Magnesium dihydrogen orthophosphate
Magnesium bis(orthophosphate)
Magnesium phosphate, monobasic
Magnesium bis(dihydrogen phosphate)
Magnesium orthophosphate (Mg(H2PO4)2)
Monobasic magnesium phosphate
Magnesium hydrogen phosphate (Mg(H2PO4)2)
Magnesium dibasic phosphate
Magnesium primary phosphate
Monomagnesium dihydrogen phosphate
Magnesium dihydrophosphate
Monomagnesium phosphate (MgH4P2O8)
Identifiers:
SMILES:
O=P(O)(O)O.[Mg]
InChI:
InChI=1S/Mg.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
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 | 122.30 g/mol | CAS Common Chemistry |
| 122.29899999999998 g/mol | RDKit | |
| 121.961936906 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Monomagnesium_phosphate | CAS Common Chemistry |
| Canonical SMILES | [Mg].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Mg.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=MSKSOBAQMWJYTJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Magnesium dihydrogen phosphate | CAS Common Chemistry |
| Monomagnesium phosphate | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -1.3094000000000001 | RDKit |
| Molar Refractivity | 20.0169 | RDKit |
