Cas no 66033-79-2 (3-Ethyl-6-methylbenzo[d]isoxazole)
![3-Ethyl-6-methylbenzo[d]isoxazole structure](https://ossimg.kuujia.com/scimg/66500/66033-79-2x500.png)
66033-79-2 structure
Product Name:3-Ethyl-6-methylbenzo[d]isoxazole
CAS No:66033-79-2
MF:C10H11NO
MW:161.200442552567
CID:963015
Update Time:2023-08-02
3-Ethyl-6-methylbenzo[d]isoxazole Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzisoxazole,3-ethyl-6-methyl-(9CI)
- 3-ethyl-6-methylbenzo[d]isoxazole
- 3-Ethyl-6-methylbenzo[d]isoxazole
-
- Inchi： 1S/C10H11NO/c1-3-9-8-5-4-7(2)6-10(8)12-11-9/h4-6H,3H2,1-2H3
- InChI Key： ZTZPAVFAOIUUTB-UHFFFAOYSA-N
- SMILES： O1C2C=C(C)C=CC=2C(CC)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 160
- XLogP3: 2.9
- Topological Polar Surface Area: 26
3-Ethyl-6-methylbenzo[d]isoxazole 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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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