Cas no 409110-28-7 (Cyclohexanecarboxamide,2-cyano-)
409110-28-7 structure
Product Name:Cyclohexanecarboxamide,2-cyano-
CAS No:409110-28-7
MF:C8H12N2O
MW:152.193681716919
CID:326278
Update Time:2024-01-28
Cyclohexanecarboxamide,2-cyano- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxamide,2-cyano-
- Cyclohexanecarboxamide, 2-cyano- (9CI)
-
- Inchi： 1S/C8H12N2O/c9-5-6-3-1-2-4-7(6)8(10)11/h6-7H,1-4H2,(H2,10,11)
- InChI Key： LPDBVTVKQRZLSL-UHFFFAOYSA-N
- SMILES： C1(C(N)=O)CCCCC1C#N
Computed Properties
- Exact Mass: 152.095
- Monoisotopic Mass: 152.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 203
- 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: 66.9A^2
Cyclohexanecarboxamide,2-cyano- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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