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Strontium Hydrogen Phosphate
CAS: 13450-99-2 | H3O4PSr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13450-99-2
Molecular Formula:
H3O4PSr
Molecular Mass:
185.61 g/mol
Names and Synonyms:
Strontium Hydrogen Phosphate
Phosphoric acid, strontium salt (1:1)
Strontium phosphate (SrHPO4)
Strontium hydrogen phosphate (SrHPO4)
Strontium hydrogen phosphate
Strontium orthophosphate (SrHPO4)
Strontium monohydrogen phosphate
Identifiers:
SMILES:
O=P(O)(O)O.[Sr]
InChI:
InChI=1S/H3O4P.Sr/c1-5(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 | 185.61 g/mol | CAS Common Chemistry |
| 185.61399999999998 g/mol | RDKit | |
| 185.882507306 g/mol | RDKit | |
| Canonical SMILES | [Sr].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H3O4P.Sr/c1-5(2,3)4;/h(H3,1,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=WUIUNDMYIOCTDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Strontium hydrogen 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 |
