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Home >> Chemical Listing >> Page 1603 >> 3-[(4-Methylphenyl)Acetyl]Benzonitrile

3-[(4-Methylphenyl)Acetyl]Benzonitrile
[CAS# 465514-72-1]

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Identification
Name 3-[(4-Methylphenyl)Acetyl]Benzonitrile
Synonyms ZINC00161866
Molecular Structure CAS#: 465514-72-1, 3-[(4-Methylphenyl)Acetyl]Benzonitrile
Molecular Formula C16H13NO
Molecular Weight 235.28
CAS Registry Number 465514-72-1
SMILES O=C(c1cccc(C#N)c1)Cc2ccc(cc2)C
InChI 1S/C16H13NO/c1-12-5-7-13(8-6-12)10-16(18)15-4-2-3-14(9-15)11-17/h2-9H,10H2,1H3
InChIKey YFRJIOUAHUUOHB-UHFFFAOYSA-N
Properties
Density 1.143g/cm3 (Cal.)
Boiling point 402.895°C at 760 mmHg (Cal.)
Flash point 197.464°C (Cal.)
Refractive index 1.596 (Cal.)
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