Cas no 66170-45-4 (Phosphonic acid, phenyl-, monohexyl ester)
66170-45-4 structure
Product Name:Phosphonic acid, phenyl-, monohexyl ester
CAS No:66170-45-4
MF:C12H18O3P
MW:241.243284702301
CID:396730
PubChem ID:71375179
Update Time:2025-04-19
Phosphonic acid, phenyl-, monohexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, phenyl-, monohexyl ester
- hexoxy(phenyl)phosphinate
- DTXSID70797930
- 66170-45-4
- HEXYL PHENYLPHOSPHONATE
-
- Inchi： 1S/C12H19O3P/c1-2-3-4-8-11-15-16(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,13,14)/p-1
- InChI Key： UEKWYRXXACHNAS-UHFFFAOYSA-M
- SMILES： P(C1C=CC=CC=1)(=O)([O-])OCCCCCC
Computed Properties
- Exact Mass: 241.09944
- Monoisotopic Mass: 241.09935643g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 49.4?2
Experimental Properties
- PSA: 49.36
- LogP: 3.53240
Phosphonic acid, phenyl-, monohexyl ester Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
66170-45-4 (Phosphonic acid, phenyl-, monohexyl ester) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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