CHEBI:194897 - Methyl 3-cyanobenzoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Methyl 3-cyanobenzoate
ChEBI ID CHEBI:194897
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H7NO2
Net Charge 0
Average Mass 161.160
Monoisotopic Mass 161.04768
InChI InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3
InChIKey XPBHWSMZTSSEJE-UHFFFAOYSA-N
SMILES O(C(=O)C=1C=C(C=CC1)C#N)C
ChEBI Ontology
Outgoing Methyl 3-cyanobenzoate (CHEBI:194897) is a benzoate ester (CHEBI:36054)
IUPAC Name
methyl 3-cyanobenzoate
Manual Xref Database
75386 ChemSpider
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