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Aluminum Dihydrogen Tripolyphosphate
CAS: 13939-25-8 | H5AlO10P3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13939-25-8
Molecular Formula:
H5AlO10P3
Molecular Mass:
284.93 g/mol
Names and Synonyms:
Aluminum Dihydrogen Tripolyphosphate
Triphosphoric acid, aluminum salt (1:1)
Aluminum triphosphate (AlH2P3O10)
K-Bond 80
Aluminum hydrogen triphosphate (AlH2P3O10)
K-White 2
K-Fresh 100P
Aluminum dihydrogen triphosphate
K 100
K 100 (phosphate)
Aluminum phosphate (AlH2P3O10)
KW 140E
K-White 92
Aluminum dihydrogen tripolyphosphate
K-White 83S
K-White 140E
K-White 140
SAP 1
Yipin SAP 1
Identifiers:
SMILES:
O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[Al]
InChI:
InChI=1S/Al.H5O10P3/c;1-11(2,3)9-13(7,8)10-12(4,5)6/h;(H,7,8)(H2,1,2,3)(H2,4,5,6)
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 | 284.93 g/mol | CAS Common Chemistry |
| 284.93399999999997 g/mol | RDKit | |
| 284.8910948800001 g/mol | RDKit | |
| Canonical SMILES | [Al].O=P(O)(O)OP(=O)(O)OP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Al.H5O10P3/c;1-11(2,3)9-13(7,8)10-12(4,5)6/h;(H,7,8)(H2,1,2,3)(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=USKFJVXXKSXPNG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum dihydrogen tripolyphosphate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 170.82 Ų | RDKit |
| LogP | -1.0754000000000001 | RDKit |
| Molar Refractivity | 41.837500000000006 | RDKit |
