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CHEBI:38085 - 2-benzofuran-1(3H)-one

Default Structure
ChEBI IDCHEBI:38085
ChEBI Name2-benzofuran-1(3H)-one
Stars
ASCII Name2-benzofuran-1(3H)-one
DefinitionA γ-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group.
Last Modified22 May 2014
DownloadsMolfile
FormulaC8H6O2
Net Charge0
Average Mass134.134
Monoisotopic Mass134.03678
SMILESO=C1OCc2ccccc21
InChIInChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
InChIKeyWNZQDUSMALZDQF-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
2-benzofuran-1(3H)-one (CHEBI:38085) is a 2-benzofurans (CHEBI:38831)
2-benzofuran-1(3H)-one (CHEBI:38085) is a γ-lactone (CHEBI:37581)
Incoming Relation(s)
(Z)-3-butylidene-7-hydroxyphthalide (CHEBI:1458) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
(Z)-3-butylidenephthalide (CHEBI:68233) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
4-farnesyl-3,5-dihydroxy-6-methylphthalide (CHEBI:167386) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one (CHEBI:47617) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
bromosulfophthalein (CHEBI:63836) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
bromosulfophthalein sodium (CHEBI:63827) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
phenolphthalein (CHEBI:34914) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
IUPAC Name 
2-benzofuran-1(3H)-one
Synonyms  Source
1(3H)-isobenzofuranoneNIST Chemistry WebBook
1-PhthalanoneChemIDplus
2-Hydroxymethylbenzoic acid, gamma-lactoneChemIDplus
3-oxo-1,3-dihydro-isobenzofuranChEBI
isobenzofuranoneChEBI
phthalideChemIDplus
Manual XrefsDatabases
HMDB0032469HMDB
PhthalideWikipedia
Registry NumbersSources
Reaxys:114632Reaxys
CAS:87-41-2NIST Chemistry WebBook
CAS:87-41-2ChemIDplus
Citations