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CAS Number: 88511-37-9
1-(isoxazol-3-yl)ethanone

Structure

1-(isoxazol-3-yl)ethanone
Name: 1-(isoxazol-3-yl)ethanone
Synonyms:
General Information
Product Number: 88511379
CAS Registry Number: 88511-37-9
Name:
        Ethanone, 1-​(3-​isoxazolyl)​-
        Ketone, 3-​isoxazolyl methyl (6CI,​7CI); 1-​(Isoxazol-​3-​yl)​ethanone 
 
Chemical Formula: C5H5NO2
Exact Mass: 111.03
Molecular Weight: 111.10
m/z: 111.03 (100.0%), 112.04 (5.5%)
Elemental Analysis: C, 54.05; H, 4.54; N, 12.61; O, 28.80
 
InChI: InChI=1S/C5H5NO2/c1-4(7)5-2-3-8-6-5/h2-3H,1H3
InChIKey: SKISYMYDQIWNBM-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=NOC=C1

Specification

98%

References

PCT Int. Appl. (2014), WO 2014047111 A1 20140327.                                  

PCT Int. Appl. (2013), WO 2013101830 A1 20130704.                                  

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