Cas no 169378-48-7 (Isoxazole,4,4'-(1,2-ethenediyl)bis-)
169378-48-7 structure
Product Name:Isoxazole,4,4'-(1,2-ethenediyl)bis-
CAS No:169378-48-7
MF:C8H6N2O2
MW:162.145441532135
CID:111182
PubChem ID:97546046
Update Time:2025-04-18
Isoxazole,4,4'-(1,2-ethenediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,4,4'-(1,2-ethenediyl)bis-
- Isoxazole, 4,4-(1,2-ethenediyl)bis- (9CI)
- 169378-48-7
- 1,2-Di(isoxazol-4-yl)ethene
-
- Inchi： 1S/C8H6N2O2/c1(7-3-9-11-5-7)2-8-4-10-12-6-8/h1-6H/b2-1+
- InChI Key： WWNWXSFHMYCIJG-OWOJBTEDSA-N
- SMILES： O1C=C(C=N1)/C=C/C1C=NOC=1
Computed Properties
- Exact Mass: 162.04298
- Monoisotopic Mass: 162.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.1A^2
- XLogP3: 1.1
Experimental Properties
- PSA: 52.06
Isoxazole,4,4'-(1,2-ethenediyl)bis- Related Literature
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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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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