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Aluminium Dihydrogenphosphate
CAS: 13530-50-2 | H3AlO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13530-50-2
Molecular Formula:
H3AlO4P
Molecular Mass:
124.98 g/mol
Names and Synonyms:
Aluminium Dihydrogenphosphate
Phosphoric acid, aluminum salt (3:1)
Aluminum phosphate (Al(H2PO4)3)
Aluminum dihydrogen phosphate
Aluminum hydrogen phosphate (AlH6(PO4)3)
Aluminum primary phosphate
Primary aluminum phosphate
Aluminum dihydrogen orthophosphate
Aluminum tris(orthophosphate)
Aluminum tris(dihydrogen phosphate)
Aluminum dihydrophosphate (Al(H2PO4)3)
Monoaluminum dihydrogen phosphate
Aluminum triorthophosphate
Aluminum trisphosphate
Aluminum phosphate (1:3)
Dihydrogen aluminum phosphate
Aluminum dihydrophosphate
Aluminum dihydrogen phosphate (Al(H2PO4)3)
Aluminum hydrogen phosphate (Al(H2PO4)3)
Monophix A
FFB 32i
100L (phosphate)
100L
100P
ZT-II
Identifiers:
SMILES:
O=P(O)(O)O.[Al]
InChI:
InChI=1S/Al.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 | 124.98 g/mol | CAS Common Chemistry |
| 124.97599999999998 g/mol | RDKit | |
| 124.95843383600001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aluminium_dihydrogenphosphate | CAS Common Chemistry |
| Canonical SMILES | [Al].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Al.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=VGCXJFJOOIQMHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum dihydrogen phosphate | CAS Common Chemistry |
| Aluminium dihydrogenphosphate | 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 |
