Cas no 174716-13-3 (Ethyl 5-methyl-4-phenylisoxazole-3-carboxylate)
174716-13-3 structure
Product Name:Ethyl 5-methyl-4-phenylisoxazole-3-carboxylate
CAS No:174716-13-3
MF:C13H13NO3
MW:231.247223615646
CID:906184
Update Time:2023-08-02
Ethyl 5-methyl-4-phenylisoxazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 3-Isoxazolecarboxylicacid,5-methyl-4-phenyl-,ethylester(9CI)
- ethyl 5-methyl-4-phenylisoxazole-3-carboxylate
- 5-Methyl-4-phenyl-isoxazole-3-carboxylic acid ethyl ester
- Ethyl 5-methyl-4-phenylisoxazole-3-carboxylate
-
- Inchi： 1S/C13H13NO3/c1-3-16-13(15)12-11(9(2)17-14-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
- InChI Key： IGQQSYKZUJMYIT-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C(=O)OCC)=N1)C1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 263
- Topological Polar Surface Area: 52.3
Ethyl 5-methyl-4-phenylisoxazole-3-carboxylate Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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