Cas no 54125-38-1 (cyclopentanecarbonitrile, 2-acetyl-, trans- (9ci))
54125-38-1 structure
Product Name:cyclopentanecarbonitrile, 2-acetyl-, trans- (9ci)
CAS No:54125-38-1
MF:C8H11NO
MW:137.179042100906
CID:939821
Update Time:2024-06-13
cyclopentanecarbonitrile, 2-acetyl-, trans- (9ci) Chemical and Physical Properties
Names and Identifiers
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- cyclopentanecarbonitrile, 2-acetyl-, trans- (9ci)
- Cyclopentanecarbonitrile, 2-acetyl-, (1R,2R)-rel-
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- Inchi： 1S/C8H11NO/c1-6(10)8-4-2-3-7(8)5-9/h7-8H,2-4H2,1H3/t7-,8-/m0/s1
- InChI Key： VWMLJKKYDYVIFV-YUMQZZPRSA-N
- SMILES： [C@@H]1(C#N)CCC[C@H]1C(C)=O
Computed Properties
- Exact Mass: 137.084
- Monoisotopic Mass: 137.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.9A^2
cyclopentanecarbonitrile, 2-acetyl-, trans- (9ci) Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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