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CHEBI:142286 - 5-methyl-3-nitrocatechol

ChEBI IDCHEBI:142286
ChEBI Name5-methyl-3-nitrocatechol
Stars
DefinitionA methylcatechol that is 3-nitrocatechol carrying a methyl substituent at position 5.
Last Modified21 September 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H7NO4
Net Charge0
Average Mass169.136
Monoisotopic Mass169.03751
SMILESCc1cc(O)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H7NO4/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,9-10H,1H3
InChIKeyMQGZDMVKFBSAQP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-methyl-3-nitrocatechol (CHEBI:142286) is a methylcatechol (CHEBI:25289)
5-methyl-3-nitrocatechol (CHEBI:142286) is a nitrotoluene (CHEBI:25566)
IUPAC Name 
5-methyl-3-nitrobenzene-1,2-diol
Synonyms  Source
5-methyl-3-nitro-1,2-benzenediolChEBI
5-nitro-3,4-dihydroxyoxytolueneChEBI
5-methyl-3-nitro-pyrocatecholChEBI
4-methyl-6-nitrocatecholChEBI
UniProt Name  Source
4-methyl-6-nitrocatecholUniProt
Manual XrefsDatabases
CPD-18111MetaCyc
Registry NumbersSources
Reaxys:2557543Reaxys
Citations