CHEBI:52125 - (6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid
ChEBI ID CHEBI:52125
ChEBI ASCII Name (6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H8F2O5
Net Charge 0
Average Mass 270.18570
Monoisotopic Mass 270.03398
InChI InChI=1S/C12H8F2O5/c1-4-5-2-7(13)10(17)9(14)11(5)19-12(18)6(4)3-8(15)16/h2,17H,3H2,1H3,(H,15,16)
InChIKey LOOHJLFUKMXKKO-UHFFFAOYSA-N
SMILES Cc1c(CC(O)=O)c(=O)oc2c(F)c(O)c(F)cc12
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid (CHEBI:52125) has functional parent 6,8-difluoro-7-hydroxy-4-methylcoumarin (CHEBI:51660)
(6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid (CHEBI:52125) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
(6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid
Registry Number Type Source
8070561 Beilstein Registry Number Beilstein
Last Modified
18 October 2009