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Reference substances

Reference substances

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General information

Inventory

EC number:
224-737-4
EC name:
Alpha-acetylphenylacetonitrile
CAS number:
4468-48-8

No inventory information available

Reference substance information

IUPAC name:
3-oxo-2-phenylbutanenitrile
Synonyms
Names:
Acetoacetonitrile, 2-phenyl-
Benzeneacetonitrile, .alpha.-acetyl-
Benzeneacetonitrile, ?-acetyl-

CAS information

CAS number:
4468-48-8

Molecular and structural information

Molecular formula:
C10H9NO
Molecular weight:
159.185
SMILES notation:
CC(=O)C(C#N)c1ccccc1
InChl:
InChI=1/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3
Structural formula:
Chemical structure