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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 Weight:
124.97599999999998 g/mol
Names and Synonyms:
Aluminium Dihydrogenphosphate
ZT-II
100P
100L
100L (phosphate)
FFB 32i
Monophix A
Aluminum hydrogen phosphate (Al(H2PO4)3)
Aluminum dihydrogen phosphate (Al(H2PO4)3)
Aluminum dihydrophosphate
Dihydrogen aluminum phosphate
Aluminum phosphate (1:3)
Aluminum trisphosphate
Aluminum triorthophosphate
Monoaluminum dihydrogen phosphate
Aluminum dihydrophosphate (Al(H2PO4)3)
Aluminum tris(dihydrogen phosphate)
Aluminum tris(orthophosphate)
Aluminum dihydrogen orthophosphate
Primary aluminum phosphate
Aluminum primary phosphate
Aluminum hydrogen phosphate (AlH6(PO4)3)
Aluminum dihydrogen phosphate
Aluminum phosphate (Al(H2PO4)3)
Phosphoric acid, aluminum salt (3:1)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 124.97599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 124.95843383600001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 77.76 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.3094000000000001 | RDKit |
| molecular_mass | 124.98 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Aluminium_dihydrogenphosphate None | Legacy Database |
| cas-canonical-smile | [Al].O=P(O)(O)O None | Legacy Database |
| cas-inchi | InChI=1S/Al.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=VGCXJFJOOIQMHR-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Aluminum dihydrogen phosphate None | Legacy Database |
| wikipedia-name | Aluminium dihydrogenphosphate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.0169 | RDKit |
