CHEBI:87385 - 3,4-bis(methoxycarbonyl)benzoic acid

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ChEBI Name 3,4-bis(methoxycarbonyl)benzoic acid
ChEBI ID CHEBI:87385
Definition A member of the class of benzoic acids that is benzoic acid substituted by methoxycarbonyl groups at positions 3 and 4 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H10O6
Net Charge 0
Average Mass 238.194
Monoisotopic Mass 238.04774
InChI InChI=1S/C11H10O6/c1-16-10(14)7-4-3-6(9(12)13)5-8(7)11(15)17-2/h3-5H,1-2H3,(H,12,13)
InChIKey KUQGJFOIULVBKJ-UHFFFAOYSA-N
SMILES C1=CC(=CC(C(OC)=O)=C1C(OC)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 3,4-bis(methoxycarbonyl)benzoic acid (CHEBI:87385) has role metabolite (CHEBI:25212)
3,4-bis(methoxycarbonyl)benzoic acid (CHEBI:87385) is a benzoate ester (CHEBI:36054)
3,4-bis(methoxycarbonyl)benzoic acid (CHEBI:87385) is a benzoic acids (CHEBI:22723)
IUPAC Name
3,4-bis(methoxycarbonyl)benzoic acid
Synonym Source
benzene-1,2,4-tricarboxylic acid-1,2-dimethyl ester ChEBI
Manual Xref Database
530275 ChemSpider
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Registry Number Type Source
3354589 Reaxys Registry Number Reaxys
Last Modified
17 September 2015