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2-Acetyl-5-methylbenzonitrile
[CAS# 64113-87-7]

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Identification
Name 2-Acetyl-5-methylbenzonitrile
Synonyms 2-acetyl-5-methylbenzonitrile
Molecular Structure CAS#: 64113-87-7, 2-Acetyl-5-methylbenzonitrile
Molecular Formula C10H9NO
Molecular Weight 159.18
CAS Registry Number 64113-87-7
SMILES Cc1ccc(c(c1)C#N)C(=O)C
InChI 1S/C10H9NO/c1-7-3-4-10(8(2)12)9(5-7)6-11/h3-5H,1-2H3
InChIKey KQALDXSZMFIDOO-UHFFFAOYSA-N
Properties
Density 1.091g/cm3 (Cal.)
Boiling point 315.587°C at 760 mmHg (Cal.)
Flash point 144.662°C (Cal.)
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