(S)-5,7-dichloro-6-methoxy-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid (CHEBI:209851)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(S)-5,7-dichloro-6-methoxy-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid

ChEBI ID	CHEBI:209851

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H10Cl2O4

Net Charge

Average Mass

277.100

Monoisotopic Mass

275.99561

InChI

InChI=1S/C11H10Cl2O4/c1-4-3-5-6(11(14)15)7(12)10(16-2)8(13)9(5)17-4/h4H,3H2,1-2H3,(H,14,15)/t4-/m0/s1

InChIKey

WNECTFDZTGEGFB-BYPYZUCNSA-N

SMILES

ClC1=C(OC)C(Cl)=C2O[C@H](CC2=C1C(=O)O)C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	(S)-5,7-dichloro-6-methoxy-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid (CHEBI:209851) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

(2S)-5,7-dichloro-6-methoxy-2-methyl-2,3-dihydro-1-benzouran-4-carboxylic acid