Cas no 75632-85-8 (Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl-)
75632-85-8 structure
Product Name:Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl-
CAS No:75632-85-8
MF:C12H16N2O2
MW:220.267642974854
CID:2801230
PubChem ID:11838915
Update Time:2025-04-21
Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl-
- 75632-85-8
- DTXSID50474257
-
- Inchi： 1S/C12H16N2O2/c1-7-11(9(3)15-13-7)5-6-12-8(2)14-16-10(12)4/h5-6H2,1-4H3
- InChI Key： GVQDCAGLTHSOMV-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C)=N1)CCC1C(C)=NOC=1C
Computed Properties
- Exact Mass: 220.121177757Da
- Monoisotopic Mass: 220.121177757Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 213
- 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: 2.6
- Topological Polar Surface Area: 52.1?2
Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
75632-85-8 (Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl-) Related Products
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