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CHEBI:80927 - 3,5-Dinitroguaiacol

ChEBI IDCHEBI:80927
ChEBI Name3,5-Dinitroguaiacol
Stars
DownloadsMolfile
FormulaC7H6N2O6
Net Charge0
Average Mass214.133
Monoisotopic Mass214.02259
SMILESCOc1c(O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O6/c1-15-7-5(9(13)14)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3
InChIKeyBWXKGZVAOLOFJU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-Dinitroguaiacol (CHEBI:80927) is a C-nitro compound (CHEBI:35716)
3,5-Dinitroguaiacol (CHEBI:80927) is a phenols (CHEBI:33853)
Manual XrefsDatabases
C17101KEGG COMPOUND
Registry NumbersSources
CAS:63975-57-5KEGG COMPOUND