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CHEBI:137384 - 3-acetylcoumarin

ChEBI IDCHEBI:137384
ChEBI Name3-acetylcoumarin
Stars
DefinitionA member of the class of coumarins that is coumarin in which the hydrogen at position 3 is replaced by an acetyl group.
Secondary ChEBI IDCHEBI:95250
Last Modified2 July 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H8O3
Net Charge0
Average Mass188.182
Monoisotopic Mass188.04734
SMILESCC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3
InChIKeyCSPIFKKOBWYOEX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-acetylcoumarin (CHEBI:137384) is a coumarins (CHEBI:23403)
IUPAC Name 
3-acetyl-2H-chromen-2-one
Synonyms  Source
3-acetyl-2H-1-benzopyran-2-oneIUPAC
3-acetylchromen-2-oneChEBI
3-acetylbenzopyran-2-oneChEBI
Manual XrefsDatabases
LSM-6573LINCS
Registry NumbersSources
Reaxys:143498Reaxys
CAS:3949-36-8ChemIDplus
Citations