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CHEBI:40070 - 4-hydroxycoumarin

ChEBI IDCHEBI:40070
ChEBI Name4-hydroxycoumarin
Stars
DefinitionA hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group.
Last Modified14 December 2018
DownloadsMolfile
FormulaC9H6O3
Net Charge0
Average Mass162.144
Monoisotopic Mass162.03169
SMILESO=c1cc(O)c2ccccc2o1
InChIInChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChIKeyVXIXUWQIVKSKSA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxycoumarin (CHEBI:40070) is a hydroxycoumarin (CHEBI:37912)
4-hydroxycoumarin (CHEBI:40070) is conjugate acid of 4-hydroxycoumarin(1−) (CHEBI:77858)
Incoming Relation(s)
4-hydroxycoumarin(1−) (CHEBI:77858) is conjugate base of 4-hydroxycoumarin (CHEBI:40070)
IUPAC Name 
4-hydroxy-2H-chromen-2-one
Synonyms  Source
4-HYDROXY-2H-CHROMEN-2-ONEPDBeChem
4-coumarinolChemIDplus
4-hydroxy-2H-1-benzopyran-2-oneChEBI
4-hydroxy-2H-benzo[b]pyran-2-oneChEBI
4-hydroxy-2-chromenoneChemIDplus
benzotetronic acidChemIDplus
Manual XrefsDatabases
4HCPDBeChem
CPD-12111MetaCyc
Registry NumbersSources
Reaxys:129768Reaxys
CAS:1076-38-6ChemIDplus
Citations