Cas no 131222-23-6 (5-Ethyl-3-methylbenzo[d]isoxazole)
![5-Ethyl-3-methylbenzo[d]isoxazole structure](https://ossimg.kuujia.com/scimg/131500/131222-23-6x500.png)
131222-23-6 structure
Product Name:5-Ethyl-3-methylbenzo[d]isoxazole
CAS No:131222-23-6
MF:C10H11NO
MW:161.200442552567
CID:102387
PubChem ID:70293590
Update Time:2024-02-29
5-Ethyl-3-methylbenzo[d]isoxazole Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisoxazole,5-ethyl-3-methyl-
- 1,2-Benzisoxazole,5-ethyl-3-methyl-(9CI)
- 5-Ethyl-3-methylbenzo[d]isoxazole
-
- Inchi： 1S/C10H11NO/c1-3-8-4-5-10-9(6-8)7(2)11-12-10/h4-6H,3H2,1-2H3
- InChI Key： VKADRLWQUCKFBX-UHFFFAOYSA-N
- SMILES： O1C2C=CC(CC)=CC=2C(C)=N1
Computed Properties
- Exact Mass: 161.084
- Monoisotopic Mass: 161.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 26
5-Ethyl-3-methylbenzo[d]isoxazole 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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
131222-23-6 (5-Ethyl-3-methylbenzo[d]isoxazole) Related Products
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