Cas no 61314-43-0 (Isoxazole, 3,4-dimethyl-5-(4-methylphenyl)-)
61314-43-0 structure
Product Name:Isoxazole, 3,4-dimethyl-5-(4-methylphenyl)-
CAS No:61314-43-0
MF:C12H13NO
MW:187.237723112106
CID:484499
PubChem ID:71396995
Update Time:2025-04-19
Isoxazole, 3,4-dimethyl-5-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 3,4-dimethyl-5-(4-methylphenyl)-
- 3,4-dimethyl-5-(4-methylphenyl)-1,2-oxazole
- 3,4-Dimethyl-5-(p-tolyl)isoxazole
- 61314-43-0
- SCHEMBL16021584
- DTXSID30818514
-
- Inchi： 1S/C12H13NO/c1-8-4-6-11(7-5-8)12-9(2)10(3)13-14-12/h4-7H,1-3H3
- InChI Key： VCDBCBHZUQJKQD-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(C)=CC=2)=C(C)C(C)=N1
Computed Properties
- Exact Mass: 187.09979
- Monoisotopic Mass: 187.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 187
- 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: 3.2
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole, 3,4-dimethyl-5-(4-methylphenyl)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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