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Home > Encyclopedia > Benzonitrile, 3-(acetyloxy)-5-methyl- (9CI)

Benzonitrile, 3-(acetyloxy)-5-methyl- (9CI)

Benzonitrile, 3-(acetyloxy)-5-methyl- (9CI) structure

Benzonitrile, 3-(acetyloxy)-5-methyl- (9CI) 

structure
  • CAS No:

    729613-60-9

  • Formula:

    C10H9NO2

  • Chemical Name:

    Benzonitrile, 3-(acetyloxy)-5-methyl- (9CI)

  • Synonyms:

    SCHEMBL6684044;3-Cyano-5-methylphenyl acetate;(3-cyano-5-methylphenyl) acetate;ZINC39089879

Benzonitrile, 3-(acetyloxy)-5-methyl- (9CI) Basic Attributes

175.18396

175.063

Characteristics

50.1

1.8

1.15±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:175.18
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:50.1
Heavy Atom Count:13
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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