Cas no 21169-68-6 (Isoxazole, 5-ethenyl-)
Isoxazole, 5-ethenyl- structure
Product Name:Isoxazole, 5-ethenyl-
CAS No:21169-68-6
MF:C5H5NO
MW:95.0993010997772
CID:238850
PubChem ID:12209481
Update Time:2025-04-19
Isoxazole, 5-ethenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 5-ethenyl-
- 5-ethenyl-1,2-oxazole
- 5-Vinylisoxazole
- DTXSID10480556
- 21169-68-6
-
- Inchi： 1S/C5H5NO/c1-2-5-3-4-6-7-5/h2-4H,1H2
- InChI Key： ZDJWVRSLZWIXGG-UHFFFAOYSA-N
- SMILES： O1C(C=C)=CC=N1
Computed Properties
- Exact Mass: 95.03715
- Monoisotopic Mass: 95.037113783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 72.5
- 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: 1.2
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole, 5-ethenyl- Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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