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CHEBI:23745 - 3,4-dihydroisocoumarin

Default Structure
ChEBI IDCHEBI:23745
ChEBI Name3,4-dihydroisocoumarin
Stars
DefinitionThe simplest member of the class of dihydroisocoumarins that is the 3,4-dihydro derivative of isocoumarin.
Last Modified2 December 2013
DownloadsMolfile
FormulaC9H8O2
Net Charge0
Average Mass148.161
Monoisotopic Mass148.05243
SMILESO=C1OCCc2ccccc21
InChIInChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2
InChIKeyXVTAQSGZOGYIEY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydroisocoumarin (CHEBI:23745) has functional parent isocoumarin (CHEBI:38759)
3,4-dihydroisocoumarin (CHEBI:23745) is a dihydroisocoumarins (CHEBI:76546)
Incoming Relation(s)
(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one (CHEBI:65537) has functional parent 3,4-dihydroisocoumarin (CHEBI:23745)
(3R,4R)-(−)-6-methoxy-1-oxo-3-n-pentyl-3,4-dihydro-1H-isochromen-4-yl-acetate (CHEBI:66698) has functional parent 3,4-dihydroisocoumarin (CHEBI:23745)
hydrangenol (CHEBI:5776) has functional parent 3,4-dihydroisocoumarin (CHEBI:23745)
IUPAC Name 
3,4-dihydro-1H-isochromen-1-one
Synonyms  Source
1-oxo-isochromanChEBI
3,4-dihydro-1H-2-benzopyran-1-oneChEBI
dihydroisocoumarinChEBI
Registry NumbersSources
Reaxys:124656Reaxys
CAS:4702-34-5ChemIDplus