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CHEBI:81654 - 3,5-Dichloro-2-methylmuconate

ChEBI IDCHEBI:81654
ChEBI Name3,5-Dichloro-2-methylmuconate
Stars
DownloadsMolfile
FormulaC7H6Cl2O4
Net Charge0
Average Mass225.027
Monoisotopic Mass223.96431
SMILESC/C(C(=O)O)=C(Cl)/C=C(/Cl)C(=O)O
InChIInChI=1S/C7H6Cl2O4/c1-3(6(10)11)4(8)2-5(9)7(12)13/h2H,1H3,(H,10,11)(H,12,13)/b4-3+,5-2+
InChIKeyNWPNKOYCKBKKCL-JWVZGZSZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,5-Dichloro-2-methylmuconate (CHEBI:81654) is a halo fatty acid (CHEBI:60692)
Manual XrefsDatabases
C18303KEGG COMPOUND