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Molecule
Monomagnesium Phosphate
CAS: 13092-66-5 · H3MgO4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13092-66-5
- Molecular Formula
- H3MgO4P
- Molecular Mass
- 122.30 g/mol
Identifiers
CAS Registry Number
13092-66-5
SMILES
O=P(O)(O)O.[Mg]
InChI Key
MSKSOBAQMWJYTJ-UHFFFAOYSA-N
InChI
InChI=1S/Mg.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
Names and Synonyms
- Monomagnesium Phosphate Common Name
- Phosphoric acid, magnesium salt (2:1) Synonym
- Magnesium phosphate (Mg(H2PO4)2) Synonym
- Magnesium dihydrogen phosphate Synonym
- Magnesium hydrogen phosphate (MgH4(PO4)2) Synonym
- Magnesium biphosphate Synonym
- Magnesium phosphate (1:2) Synonym
- Primary magnesium phosphate Synonym
- Magnesium dihydrogen orthophosphate Synonym
- Magnesium bis(orthophosphate) Synonym
- Magnesium phosphate, monobasic Synonym
- Magnesium bis(dihydrogen phosphate) Synonym
- Magnesium orthophosphate (Mg(H2PO4)2) Synonym
- Monobasic magnesium phosphate Synonym
- Magnesium hydrogen phosphate (Mg(H2PO4)2) Synonym
- Magnesium dibasic phosphate Synonym
- Magnesium primary phosphate Synonym
- Monomagnesium dihydrogen phosphate Synonym
- Magnesium dihydrophosphate Synonym
- Monomagnesium phosphate (MgH4P2O8) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.30 g/mol | CAS Common Chemistry |
| 122.29899999999998 g/mol | RDKit | |
| 122.299 g/mol | RDKit | |
| 124.315 g/mol | chempirical lib | |
| 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 |
| 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 |
| -1.3094 | RDKit | |
| Molar Refractivity | 20.0169 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 121.961936906 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 122.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula H3MgO4P.
