Cas no 51004-14-9 (2-(2-oxocyclopentyl)acetonitrile)
51004-14-9 structure
Product Name:2-(2-oxocyclopentyl)acetonitrile
2-(2-oxocyclopentyl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-oxocyclopentyl)acetonitrile
- (2-oxocyclopentyl)acetonitrile
- 2-(cyanomethyl)cyclopentanone
- 2-Cyanmethyl-cyclopentanon
- 2-Cyanomethylcyclopentanon
- 2-OXOCYCLOPENTANEACETONITRILE
- AC1L7WH3
- NSC250942
- NSC-250942
- KS5YZL624B
- DTXSID50312160
- 51004-14-9
- Cyclopentaneacetonitrile, 2-oxo-
-
- Inchi： 1S/C7H9NO/c8-5-4-6-2-1-3-7(6)9/h6H,1-4H2
- InChI Key： NTBRBVDWJQGNBR-UHFFFAOYSA-N
- SMILES： O=C1CCCC1CC#N
Computed Properties
- Exact Mass: 123.06847
- Monoisotopic Mass: 123.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
- LogP: 1.26928
2-(2-oxocyclopentyl)acetonitrile Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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