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CHEBI:194897 - Methyl 3-cyanobenzoate

ChEBI IDCHEBI:194897
ChEBI NameMethyl 3-cyanobenzoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H7NO2
Net Charge0
Average Mass161.160
Monoisotopic Mass161.04768
SMILESCOC(=O)c1cccc(C#N)c1
InChIInChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3
InChIKeyXPBHWSMZTSSEJE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl 3-cyanobenzoate (CHEBI:194897) is a benzoate ester (CHEBI:36054)
IUPAC Name 
methyl 3-cyanobenzoate
Manual XrefsDatabases
75386ChemSpider