Cas no 61314-50-9 (Isoxazole, 3,4-dimethyl-5-(pentamethylphenyl)-)
61314-50-9 structure
Product Name:Isoxazole, 3,4-dimethyl-5-(pentamethylphenyl)-
CAS No:61314-50-9
MF:C16H21NO
MW:243.344044446945
CID:484492
PubChem ID:71396989
Update Time:2025-04-19
Isoxazole, 3,4-dimethyl-5-(pentamethylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Isoxazole, 3,4-dimethyl-5-(pentamethylphenyl)-
- 3,4-dimethyl-5-(2,3,4,5,6-pentamethylphenyl)-1,2-oxazole
- 3,4-Dimethyl-5-(pentamethylphenyl)-1,2-oxazole
- 3,4-Dimethyl-5-(2,3,4,5,6-pentamethylphenyl)isoxazole
- DTXSID20818508
- 61314-50-9
-
- Inchi： 1S/C16H21NO/c1-8-9(2)11(4)15(12(5)10(8)3)16-13(6)14(7)17-18-16/h1-7H3
- InChI Key： DUWGALQEOCUYKA-UHFFFAOYSA-N
- SMILES： O1C(=C(C)C(C)=N1)C1C(C)=C(C)C(C)=C(C)C=1C
Computed Properties
- Exact Mass: 243.16243
- Monoisotopic Mass: 243.162314293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 277
- 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: 4.6
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole, 3,4-dimethyl-5-(pentamethylphenyl)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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