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CHEBI:177630 - 4-Ethynyltoluene

ChEBI IDCHEBI:177630
ChEBI Name4-Ethynyltoluene
Stars
Last Modified27 September 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8
Net Charge0
Average Mass116.163
Monoisotopic Mass116.06260
SMILESC#Cc1ccc(C)cc1
InChIInChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChIKeyKSZVOXHGCKKOLL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
4-Ethynyltoluene (CHEBI:177630) is a toluenes (CHEBI:27024)
IUPAC Name 
1-ethynyl-4-methylbenzene
Manual XrefsDatabases
12477ChemSpider
Registry NumbersSources
CAS:766-97-2ChemIDplus