3-Acetylbenzonitrile (CHEBI:194596)

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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	3-Acetylbenzonitrile

ChEBI ID	CHEBI:194596

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H7NO

Net Charge

Average Mass

145.161

Monoisotopic Mass

145.05276

InChI

InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3

InChIKey

SBCFGFDAZCTSRH-UHFFFAOYSA-N

SMILES

O=C(C=1C=C(C=CC1)C#N)C

ChEBI Ontology
Outgoing	3-Acetylbenzonitrile (CHEBI:194596) is a aromatic ketone (CHEBI:76224)

IUPAC Name

3-acetylbenzonitrile