Cas no 6670-38-8 (2,3,4,5-Tetramethylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile)
![2,3,4,5-Tetramethylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile structure](https://ossimg.kuujia.com/scimg/7000/6670-38-8x500.png)
6670-38-8 structure
Product Name:2,3,4,5-Tetramethylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
2,3,4,5-Tetramethylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,3,4,5-tetramethylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
- DTXSID30294879
- NSC98483
- NSC-98483
- 6670-38-8
- 2,3,4,5-Tetramethylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
-
- Inchi： 1S/C13H15N/c1-7-8(2)10(4)13-11(6-14)5-12(13)9(7)3/h11H,5H2,1-4H3
- InChI Key： NEWKWQCJDOSYFU-UHFFFAOYSA-N
- SMILES： N#CC1CC2C(C)=C(C)C(C)=C(C)C1=2
Computed Properties
- Exact Mass: 185.120449483g/mol
- Monoisotopic Mass: 185.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 274
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 23.8?2
2,3,4,5-Tetramethylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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