Cas no 93422-81-2 (Ethanone,1-(5-propyl-3-isoxazolyl)-)
93422-81-2 structure
Product Name:Ethanone,1-(5-propyl-3-isoxazolyl)-
CAS No:93422-81-2
MF:C8H11NO2
MW:153.178442239761
CID:801339
PubChem ID:12001676
Update Time:2025-04-19
Ethanone,1-(5-propyl-3-isoxazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(5-propyl-3-isoxazolyl)-
- Ethanone, 1-(5-propyl-3-isoxazolyl)- (9CI)
- Ethanone, 1-(5-propyl-3-isoxazolyl)-
- 93422-81-2
- 1-(5-propylisoxazol-3-yl)ethanone
- SCHEMBL4033216
-
- Inchi： 1S/C8H11NO2/c1-3-4-7-5-8(6(2)10)9-11-7/h5H,3-4H2,1-2H3
- InChI Key： SETOKCCUFZJFHA-UHFFFAOYSA-N
- SMILES： O1C(=CC(C(C)=O)=N1)CCC
Computed Properties
- Exact Mass: 153.078978594g/mol
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 147
- 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: 1.6
- Topological Polar Surface Area: 43.1?2
Ethanone,1-(5-propyl-3-isoxazolyl)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
93422-81-2 (Ethanone,1-(5-propyl-3-isoxazolyl)-) Related Products
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