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CHEBI:192403 - allyl isocyanate

ChEBI IDCHEBI:192403
ChEBI Nameallyl isocyanate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC4H5NO
Net Charge0
Average Mass83.090
Monoisotopic Mass83.03711
SMILESC=CCN=C=O
InChIInChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2
InChIKeyHXBPYFMVGFDZFT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
allyl isocyanate (CHEBI:192403) is a isocyanates (CHEBI:53212)
IUPAC Name 
3-isocyanatoprop-1-ene
Manual XrefsDatabases
14395ChemSpider
Registry NumbersSources
CAS:1476-23-9ChemIDplus