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Fosetyl-Al
CAS: 39148-24-8 | C2H7AlO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39148-24-8
Molecular Formula:
C2H7AlO3P
Molecular Weight:
137.03099999999998 g/mol
Names and Synonyms:
Fosetyl-Al
Phosphonic acid, monoethyl ester, aluminum salt (3:1)
Phosphonic acid, monoethyl ester, aluminum salt
LS 74-783
Aliette
Aluminum tris(ethyl phosphite)
Phosethyl Al
Efosite Al
EXP 1659
Fosetyl Al
Aluminum tris(O-ethylphosphonate)
Efal
Fosetyl aluminum
Yilinlu
Efal 50
Ephal
Fosethyl Al
Chipco Aliette Signature
Chipco Signature
Aliette 80WG
Alliete
Sinophos
Aliette Flash
Aliette WP
Aliette WDG
Signature 80 WDG
Identifiers:
SMILES:
CCO[PH](=O)O.[Al]
InChI:
InChI=1S/C2H7O3P.Al/c1-2-5-6(3)4;/h6H,2H2,1H3,(H,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 | 137.03099999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.994819344 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.02410000000000001 | RDKit |
| molecular_mass | 137.03 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Fosetyl-Al None | Legacy Database |
| cas-canonical-smile | [Al].O=P(O)OCC None | Legacy Database |
| cas-inchi | InChI=1S/C2H7O3P.Al/c1-2-5-6(3)4;/h6H,2H2,1H3,(H,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=PAQUPAUTWJAATF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >300 °C None | Legacy Database |
| cas-name | Fosetyl aluminum None | Legacy Database |
| wikipedia-name | Fosetyl-Al None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.600299999999994 | RDKit |
