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Home > Encyclopedia > Acetonitrile, (5-acetyl-2-ethoxyphenyl)- (6CI)

Acetonitrile, (5-acetyl-2-ethoxyphenyl)- (6CI)

Acetonitrile, (5-acetyl-2-ethoxyphenyl)- (6CI) structure

Acetonitrile, (5-acetyl-2-ethoxyphenyl)- (6CI) 

structure
  • CAS No:

    100192-10-7

  • Formula:

    C12H13NO2

  • Chemical Name:

    Acetonitrile, (5-acetyl-2-ethoxyphenyl)- (6CI)

  • Synonyms:

    (5-Acetyl-2-ethoxyphenyl)acetonitrile;CTK8G4050;ZINC204910997

Acetonitrile, (5-acetyl-2-ethoxyphenyl)- (6CI) Basic Attributes

203.241

203.095

Characteristics

50.1

1.6

1.082±0.06 g/cm3(Predicted)

105 °C

377.9±32.0 °C(Predicted)

Computed Properties

Molecular Weight:203.24
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:203.094628657
Monoisotopic Mass:203.094628657
Topological Polar Surface Area:50.1
Heavy Atom Count:15
Complexity:266
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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