Cas no 98593-13-6 (Cyclopentanecarbonitrile, 2-acetyl- (6CI))
98593-13-6 structure
Product Name:Cyclopentanecarbonitrile, 2-acetyl- (6CI)
CAS No:98593-13-6
MF:C8H11NO
MW:137.179042100906
CID:1002584
Update Time:2024-02-06
Cyclopentanecarbonitrile, 2-acetyl- (6CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclopentanecarbonitrile, 2-acetyl- (6CI)
- (1RS,2RS)-2-acetylcyclopentanecarbonitrile
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- Inchi: 1S/C8H11NO/c1-6(10)8-4-2-3-7(8)5-9/h7-8H,2-4H2,1H3
- InChI Key: VWMLJKKYDYVIFV-UHFFFAOYSA-N
- SMILES: C1(C#N)CCCC1C(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: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.9A^2
Cyclopentanecarbonitrile, 2-acetyl- (6CI) Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
98593-13-6 (Cyclopentanecarbonitrile, 2-acetyl- (6CI)) Related Products
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