Cas no 75290-76-5 (Ethanone,1-(1,2-benzisoxazol-3-yl)-)
75290-76-5 structure
Product Name:Ethanone,1-(1,2-benzisoxazol-3-yl)-
CAS No:75290-76-5
MF:C9H7NO2
MW:161.157382249832
CID:558677
PubChem ID:12706408
Update Time:2025-04-19
Ethanone,1-(1,2-benzisoxazol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(1,2-benzisoxazol-3-yl)-
- 1-(1,2-benzisoxazol-3-yl)ethanone
- 1-(1,2-benzoxazol-3-yl)ethanone
- Ethanone, 1-(1,2-benzisoxazol-3-yl)- (9CI)
- 1-(Benzo[d]isoxazol-3-yl)ethanone
- 1,2-Benzisoxazole,ethanone deriv.
- A936913
- SCHEMBL3434886
- DTXSID70507516
- CWYBQMWNAJFPNS-UHFFFAOYSA-N
- 1-(1,2-Benzoxazol-3-yl)ethan-1-one
- 75290-76-5
-
- Inchi： 1S/C9H7NO2/c1-6(11)9-7-4-2-3-5-8(7)12-10-9/h2-5H,1H3
- InChI Key： CWYBQMWNAJFPNS-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2C(C(C)=O)=N1
Computed Properties
- Exact Mass: 161.047678466g/mol
- Monoisotopic Mass: 161.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 193
- 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
Ethanone,1-(1,2-benzisoxazol-3-yl)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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