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

Default Structure
ChEBI IDCHEBI:87385
ChEBI Name3,4-bis(methoxycarbonyl)benzoic acid
Stars
DefinitionA member of the class of benzoic acids that is benzoic acid substituted by methoxycarbonyl groups at positions 3 and 4 respectively.
Last Modified17 September 2015
Submitternamrata
DownloadsMolfile
FormulaC11H10O6
Net Charge0
Average Mass238.195
Monoisotopic Mass238.04774
SMILESCOC(=O)c1ccc(C(=O)O)cc1C(=O)OC
InChIInChI=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)
InChIKeyKUQGJFOIULVBKJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 esterChEBI
Manual XrefsDatabases
530275ChemSpider
Registry NumbersSources
Reaxys:3354589Reaxys