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CAS Number: 88511-38-0
1-(isoxazol-5-yl)ethanone

Structure

1-(isoxazol-5-yl)ethanone
Name: 1-(isoxazol-5-yl)ethanone
Synonyms:
General Information
Product Number: 88511380

CAS Registry Number 88511-38-0
Name:
Ethanone, 1-​(5-​isoxazolyl)​-
Ketone, 5-isoxazolyl methyl (7CI)

 

Chemical Formula: C5H5NO2
Exact Mass: 111.03
Molecular Weight: 111.10
m/z: 111.03 (100.0%), 112.04 (5.5%)

 

InChI:InChI=1S/C5H5NO2/c1-4(7)5-2-3-6-8-5/h2-3H,1H3

InChI Key:GKUBGXGRJNAABQ-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC=NO1

 

Thermal Properties Value Condition Note
Melting Point 52.5-53 °C Solv: ligroine (8032-32-4) (1)CAS

Specification

98%

References
  1. (1) Panizzi, Luigi; Gazzetta Chimica Italiana 1942, V72, P475-83 CAPLUS
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