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CHEBI:83520 - propachlor OXA

ChEBI IDCHEBI:83520
ChEBI Namepropachlor OXA
Stars
DefinitionA monocarboxylic acid that is oxoacetic acid substituted by a phenyl(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide propachlor.
Last Modified10 November 2014
DownloadsMolfile
FormulaC11H13NO3
Net Charge0
Average Mass207.229
Monoisotopic Mass207.08954
SMILESCC(C)N(C(=O)C(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)
InChIKeyHYHJOUPYTUBFIX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
propachlor OXA (CHEBI:83520) has role marine xenobiotic metabolite (CHEBI:83399)
propachlor OXA (CHEBI:83520) is a anilide (CHEBI:13248)
propachlor OXA (CHEBI:83520) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
oxo[phenyl(propan-2-yl)amino]acetic acid
Synonym  Source
N-isopropyl-N-phenyloxamic acidChemIDplus
Registry NumbersSources
Reaxys:8762695Reaxys
CAS:70628-36-3ChemIDplus
Citations