Cas no 6151-90-2 (Phosphonic acid, dihexyl ester)
6151-90-2 structure
Product Name:Phosphonic acid, dihexyl ester
CAS No:6151-90-2
MF:C12H26O3P
MW:249.30680513382
CID:476396
PubChem ID:6328376
Update Time:2025-04-19
Phosphonic acid, dihexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, dihexyl ester
- dihexoxy(oxo)phosphanium
- Dihexyl phosphonate
- LogP
- 6151-90-2
- DTXSID90422590
- Phosphonic acid dihexyl ester
- SCHEMBL418814
-
- Inchi： 1S/C12H26O3P/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2/h3-12H2,1-2H3/q+1
- InChI Key： SSTHNOXIGJRLAF-UHFFFAOYSA-N
- SMILES： [P+](=O)(OCCCCCC)OCCCCCC
Computed Properties
- Exact Mass: 250.16991
- Monoisotopic Mass: 249.16195668g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 12
- Complexity: 146
- 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: 4.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Phosphonic acid, dihexyl ester Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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