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CHEBI:142347 - 4-methyl-3-nitrocatechol

ChEBI IDCHEBI:142347
ChEBI Name4-methyl-3-nitrocatechol
Stars
DefinitionA methylcatechol that is 4-methylcatechol in which the hydrogen at position 3 has been replaced by a nitro group.
Last Modified21 September 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H7NO4
Net Charge0
Average Mass169.136
Monoisotopic Mass169.03751
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
InChIKeyJNHOFPQUTOBFOM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-methyl-3-nitrocatechol (CHEBI:142347) is a methylcatechol (CHEBI:25289)
4-methyl-3-nitrocatechol (CHEBI:142347) is a nitrotoluene (CHEBI:25566)
4-methyl-3-nitrocatechol (CHEBI:142347) is conjugate acid of 4-methyl-3-nitrocatechol(1−) (CHEBI:142288)
Incoming Relation(s)
4-methyl-3-nitrocatechol(1−) (CHEBI:142288) is conjugate base of 4-methyl-3-nitrocatechol (CHEBI:142347)
IUPAC Name 
4-methyl-3-nitrobenzene-1,2-diol
Manual XrefsDatabases
CPD-18109MetaCyc
Registry NumbersSources
CAS:92538-95-9ChemIDplus
Citations