Cas no 179123-87-6 (Methanone, 4-isoxazolylphenyl-)
179123-87-6 structure
Product Name:Methanone, 4-isoxazolylphenyl-
CAS No:179123-87-6
MF:C10H7NO2
MW:173.168082475662
CID:2783044
PubChem ID:22342448
Update Time:2024-03-01
Methanone, 4-isoxazolylphenyl- Chemical and Physical Properties
Names and Identifiers
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- Methanone, 4-isoxazolylphenyl-
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- Inchi： 1S/C10H7NO2/c12-10(9-6-11-13-7-9)8-4-2-1-3-5-8/h1-7H
- InChI Key： FGGUUGIYSOGQED-UHFFFAOYSA-N
- SMILES： C(C1=CON=C1)(C1=CC=CC=C1)=O
Computed Properties
- Exact Mass: 173.047678466g/mol
- Monoisotopic Mass: 173.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 187
- 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: 1.7
- Topological Polar Surface Area: 43.1?2
Methanone, 4-isoxazolylphenyl- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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