Cas no 1067-90-9 (Phosphonicacid, P-(3-oxobutyl)-, diethyl ester)
1067-90-9 structure
Product Name:Phosphonicacid, P-(3-oxobutyl)-, diethyl ester
Phosphonicacid, P-(3-oxobutyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonicacid, P-(3-oxobutyl)-, diethyl ester
- DIETHYL (3-OXOBUTYL)PHOSPHONATE
- 3-Oxobutylphosphonic acid diethyl ester
- 4-diethoxyphosphorylbutan-2-one
- (3-Oxobutyl)phosphonic acid diethyl ester
- DTXSID90147736
- JTQRTGRGGCXPMU-UHFFFAOYSA-N
- diethyl 3-oxobutylphosphonate
- SCHEMBL2991834
- 1067-90-9
- diethyl 3-oxo-butylphosphonate
-
- Inchi： 1S/C8H17O4P/c1-4-11-13(10,12-5-2)7-6-8(3)9/h4-7H2,1-3H3
- InChI Key： JTQRTGRGGCXPMU-UHFFFAOYSA-N
- SMILES： P(CCC(C)=O)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 208.08651
- Monoisotopic Mass: 208.08644602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 192
- 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: -0.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Phosphonicacid, P-(3-oxobutyl)-, diethyl ester Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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