Cas no 1030-08-6 (Isoxazole, 5-octyl-3-phenyl-)
Isoxazole, 5-octyl-3-phenyl- structure
Product Name:Isoxazole, 5-octyl-3-phenyl-
CAS No:1030-08-6
MF:C17H23NO
MW:257.370624780655
CID:1137365
PubChem ID:12376597
Update Time:2025-04-20
Isoxazole, 5-octyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 5-octyl-3-phenyl-
- 5-octyl-3-phenyl-1,2-oxazole
- 1030-08-6
- 5-Octyl-3-phenylisoxazole
- DTXSID30495142
-
- Inchi： 1S/C17H23NO/c1-2-3-4-5-6-10-13-16-14-17(18-19-16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3
- InChI Key： PLILCSUYIUBKNG-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=CC=CC=2)=N1)CCCCCCCC
Computed Properties
- Exact Mass: 257.17809
- Monoisotopic Mass: 257.177964357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 225
- 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: 5.9
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole, 5-octyl-3-phenyl- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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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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4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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