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CHEBI:142280 - 3-methyl-4-nitrocatechol

ChEBI IDCHEBI:142280
ChEBI Name3-methyl-4-nitrocatechol
Stars
DefinitionA nitrotoluene that is 2-nitrotoluene carrying two hydroxy substituents at positions 5 and 6.
Last Modified26 September 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H7NO4
Net Charge0
Average Mass169.136
Monoisotopic Mass169.03751
SMILESCc1c([N+](=O)[O-])ccc(O)c1O
InChIInChI=1S/C7H7NO4/c1-4-5(8(11)12)2-3-6(9)7(4)10/h2-3,9-10H,1H3
InChIKeyIDTXJDQVEWSWDD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-methyl-4-nitrocatechol (CHEBI:142280) is a catechols (CHEBI:33566)
3-methyl-4-nitrocatechol (CHEBI:142280) is a nitrotoluene (CHEBI:25566)
IUPAC Name 
3-methyl-4-nitrobenzene-1,2-diol
Synonyms  Source
3-methyl-4-nitro-1,2-benzenediolSUBMITTER
3M4NCChEBI
UniProt Name  Source
3-methyl-4-nitrocatecholUniProt
Manual XrefsDatabases
CPD-9142MetaCyc
Registry NumbersSources
Reaxys:29694137Reaxys
Citations