Cas no 960371-41-9 (4-Oxo-1-(pyrimidin-2-yl)cyclohexanecarbonitrile)
960371-41-9 structure
Product Name:4-Oxo-1-(pyrimidin-2-yl)cyclohexanecarbonitrile
CAS No:960371-41-9
MF:C11H11N3O
MW:201.224541902542
CID:2124375
Update Time:2023-08-03
4-Oxo-1-(pyrimidin-2-yl)cyclohexanecarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-oxo-1-(2-pyrimidinyl)Cyclohexanecarbonitrile
- 4-OXO-1-(2-PYRIMIDINYL)-CYCLOHEXANECARBONITRILE
- ZIKKKIWXEOXJAG-UHFFFAOYSA-N
- 4-oxo-1-(pyrimidin-2-yl)cyclohexanecarbonitrile
- Cyclohexanecarbonitrile, 4-oxo-1-(2-pyrimidinyl)-
- 4-Oxo-1-(pyrimidin-2-yl)cyclohexanecarbonitrile
-
- Inchi： 1S/C11H11N3O/c12-8-11(4-2-9(15)3-5-11)10-13-6-1-7-14-10/h1,6-7H,2-5H2
- InChI Key： ZIKKKIWXEOXJAG-UHFFFAOYSA-N
- SMILES： O=C1CCC(C#N)(C2N=CC=CN=2)CC1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 288
- Topological Polar Surface Area: 66.6
4-Oxo-1-(pyrimidin-2-yl)cyclohexanecarbonitrile Related Literature
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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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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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