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Molecule
Strontium Hydrogen Phosphate
CAS: 13450-99-2 · H3O4PSr
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13450-99-2
- Molecular Formula
- H3O4PSr
- Molecular Mass
- 185.61399999999998 g/mol
Identifiers
CAS Registry Number
13450-99-2
SMILES
O=P(O)(O)O.[Sr]
InChI Key
WUIUNDMYIOCTDK-UHFFFAOYSA-N
InChI
InChI=1S/H3O4P.Sr/c1-5(2,3)4;/h(H3,1,2,3,4);
Names and Synonyms
- Strontium Hydrogen Phosphate Synonym
- Phosphoric acid, strontium salt (1:1) Synonym
- Strontium phosphate (SrHPO4) Synonym
- Strontium hydrogen phosphate (SrHPO4) Synonym
- Strontium hydrogen phosphate Synonym
- Strontium orthophosphate (SrHPO4) Synonym
- Strontium monohydrogen phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 185.61399999999998 g/mol | RDKit |
| 185.882507306 g/mol | RDKit | |
| 185.614 g/mol | RDKit | |
| 187.63 g/mol | chempirical lib | |
| 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 |
| Fraction Csp3 | 0.0 | chempirical lib |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Exact Mass | 185.61 g/mol | CAS Common Chemistry |
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
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MW = 185.61 g/mol. Edit any field — others recompute live.
