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CHEBI:38759 - isocoumarin

ChEBI IDCHEBI:38759
ChEBI Nameisocoumarin
Stars
DefinitionThe simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1.
Last Modified15 June 2015
DownloadsMolfile
FormulaC9H6O2
Net Charge0
Average Mass146.145
Monoisotopic Mass146.03678
SMILESO=c1occc2ccccc12
InChIInChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKeyIQZZFVDIZRWADY-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
isocoumarin (CHEBI:38759) has parent hydride 1H-isochromene (CHEBI:36115)
isocoumarin (CHEBI:38759) is a isocoumarins (CHEBI:38758)
Incoming Relation(s)
3,4-dihydroisocoumarin (CHEBI:23745) has functional parent isocoumarin (CHEBI:38759)
mellein (CHEBI:38760) has functional parent isocoumarin (CHEBI:38759)
IUPAC Name 
1H-isochromen-1-one
Synonyms  Source
3,4-Benzo-2-pyroneChemIDplus
1H-2-benzopyran-1-oneChEBI
Manual XrefsDatabases
IsocoumarinWikipedia
Registry NumbersSources
Reaxys:114343Reaxys
CAS:491-31-6ChemIDplus