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CHEBI:142288 - 4-methyl-3-nitrocatechol(1−)

ChEBI IDCHEBI:142288
ChEBI Name4-methyl-3-nitrocatechol(1−)
Stars
ASCII Name4-methyl-3-nitrocatechol(1-)
DefinitionA phenolate anion resulting from the deprotonation of the hydroxy group that is ortho to the nitro group of 4-methyl-3-nitrocatechol; the major microspecies at pH 7.3.
Last Modified21 September 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H6NO4
Net Charge-1
Average Mass168.128
Monoisotopic Mass168.03023
SMILESCc1ccc(O)c([O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H7NO4/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3,9-10H,1H3/p-1
InChIKeyJNHOFPQUTOBFOM-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-methyl-3-nitrocatechol(1−) (CHEBI:142288) is a phenolate anion (CHEBI:50525)
4-methyl-3-nitrocatechol(1−) (CHEBI:142288) is conjugate base of 4-methyl-3-nitrocatechol (CHEBI:142347)
Incoming Relation(s)
4-methyl-3-nitrocatechol (CHEBI:142347) is conjugate acid of 4-methyl-3-nitrocatechol(1−) (CHEBI:142288)
IUPAC Name 
6-hydroxy-3-methyl-2-nitrophenolate
UniProt Name  Source
4-methyl-3-nitrocatecholUniProt
Manual XrefsDatabases
CPD-18109MetaCyc
Citations