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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > aromatic ketone > 3-acetylbenzonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > 3-acetylbenzonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > 3-acetylbenzonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 3-acetylbenzonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 3-acetylbenzonitrile

Preferred term

3-acetylbenzonitrile  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C9H7NO

inchi

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

inchikey

  • SBCFGFDAZCTSRH-UHFFFAOYSA-N

mass

  • 145.161

monoisotopicmass

  • 145.05276

smiles

  • O=C(C=1C=C(C=CC1)C#N)C

subset

  • 2_STAR

synonym EXACT

  • 3-acetylbenzonitrile

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:194596

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