Cas no 189120-11-4 (4-[(2-Oxocyclohexyl)methyl]benzonitrile)
![4-[(2-Oxocyclohexyl)methyl]benzonitrile structure](https://ossimg.kuujia.com/scimg/189500/189120-11-4x500.png)
189120-11-4 structure
Product Name:4-[(2-Oxocyclohexyl)methyl]benzonitrile
CAS No:189120-11-4
MF:C14H15NO
MW:213.275003671646
CID:2786252
Update Time:2023-08-07
4-[(2-Oxocyclohexyl)methyl]benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-[(2-oxocyclohexyl)methyl]benzonitrile
- 4-[(2-oxocyclohexyl)methyl]-benzonitrile
- 4-[(2-Oxocyclohexyl)methyl]benzonitrile
-
- Inchi： 1S/C14H15NO/c15-10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(13)16/h5-8,13H,1-4,9H2
- InChI Key： RIEGMVKAQXZDCC-UHFFFAOYSA-N
- SMILES： O=C1CCCCC1CC1C=CC(C#N)=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 293
- XLogP3: 2.6
- Topological Polar Surface Area: 40.9
4-[(2-Oxocyclohexyl)methyl]benzonitrile Related Literature
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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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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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