Cas no 77854-04-7 (Ethanone, 1-[3-(diphenylmethyl)-5-methyl-4-isoxazolyl]-)
![Ethanone, 1-[3-(diphenylmethyl)-5-methyl-4-isoxazolyl]- structure](https://ossimg.kuujia.com/scimg/78000/77854-04-7x500.png)
77854-04-7 structure
Product Name:Ethanone, 1-[3-(diphenylmethyl)-5-methyl-4-isoxazolyl]-
CAS No:77854-04-7
MF:C19H17NO2
MW:291.343785047531
CID:535374
PubChem ID:12911786
Update Time:2025-04-19
Ethanone, 1-[3-(diphenylmethyl)-5-methyl-4-isoxazolyl]- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 1-[3-(diphenylmethyl)-5-methyl-4-isoxazolyl]-
- 1-(3-benzhydryl-5-methyl-1,2-oxazol-4-yl)ethanone
- 1-[3-(Diphenylmethyl)-5-methyl-1,2-oxazol-4-yl]ethan-1-one
- 1-(3-Benzhydryl-5-methylisoxazol-4-yl)ethanone
- 77854-04-7
- DTXSID00512774
-
- Inchi： 1S/C19H17NO2/c1-13(21)17-14(2)22-20-19(17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,1-2H3
- InChI Key： YBLUZVFVGIMJLU-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C)=O)C(C(C2C=CC=CC=2)C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 291.12601
- Monoisotopic Mass: 291.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 354
- 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: 3.9
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.1
Ethanone, 1-[3-(diphenylmethyl)-5-methyl-4-isoxazolyl]- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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