Back to Search
Molecule
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
Identifiers
CAS Registry Number
7782-75-4
SMILES
O.O.O.O=P(O)(O)O.[Mg]
InChI Key
UJVVJPYNJUFDJP-UHFFFAOYSA-N
InChI
InChI=1S/Mg.H3O4P.3H2O/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);3*1H2
Names and Synonyms
- Magnesium Hydrogen Phosphate Trihydrate Common Name
- Phosphoric acid, magnesium salt (1:1), trihydrate Synonym
- Dibasic magnesium phosphate trihydrate Synonym
- Magnesium dibasic phosphate trihydrate Synonym
- Magnesium hydrogen phosphate trihydrate Synonym
- Magnesium phosphate (MgHPO4) trihydrate Synonym
- Magnesium monohydrogen phosphate (MgHPO4) trihydrate Synonym
- Magnesium monohydrogen phosphate trihydrate Synonym
- Magnesium hydrogen phosphate (MgHPO4) trihydrate Synonym
- Dimagnesium phosphate trihydrate Synonym
- Budit 229 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 176.34 g/mol | CAS Common Chemistry |
| 176.34400000000002 g/mol | RDKit | |
| 176.344 g/mol | RDKit | |
| 178.36 g/mol | chempirical lib | |
| 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 |
| 172.26 Ų | RDKit | |
| LogP | -3.7835000000000005 | RDKit |
| -3.7835 | RDKit | |
| Molar Refractivity | 30.858299999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 175.993630958 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 176.34 g/mol. Edit any field — others recompute live.
