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Home > Encyclopedia > Benzonitrile, 3-acetyl-4-methyl- (9CI)

Benzonitrile, 3-acetyl-4-methyl- (9CI)

Benzonitrile, 3-acetyl-4-methyl- (9CI) structure

Benzonitrile, 3-acetyl-4-methyl- (9CI) 

structure
  • CAS No:

    684215-40-5

  • Formula:

    C10H9NO

  • Chemical Name:

    Benzonitrile, 3-acetyl-4-methyl- (9CI)

  • Synonyms:

    3-Acetyl-4-methylbenzonitrile;CTK9A0778;ZINC39070782;FT-0706921

Benzonitrile, 3-acetyl-4-methyl- (9CI) Basic Attributes

159.18456

159.068

Characteristics

40.9

1.7

1.09±0.1 g/cm3(Predicted)

101-102 °C

Computed Properties

Molecular Weight:159.18
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:159.068413911
Monoisotopic Mass:159.068413911
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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