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Home > Encyclopedia > α-Amino-1,3-benzodioxole-5-acetonitrile

α-Amino-1,3-benzodioxole-5-acetonitrile

α-Amino-1,3-benzodioxole-5-acetonitrile structure

α-Amino-1,3-benzodioxole-5-acetonitrile 

structure
  • CAS No:

    69810-87-3

  • Formula:

    C9H8N2O2

  • Chemical Name:

    α-Amino-1,3-benzodioxole-5-acetonitrile

  • Synonyms:

    1,3-Benzodioxole-5-acetonitrile,α-amino-;α-Amino-1,3-benzodioxole-5-acetonitrile;Amino-1,3-benzodioxol-5-ylacetonitrile;(±)-Amino(1,3-benzodioxol-5-yl)acetonitrile;2-Amino-2-(2H-1,3-benzodioxol-5-yl)acetonitrile;62779-88-8

α-Amino-1,3-benzodioxole-5-acetonitrile Basic Attributes

176.17202

176.17

2932999099

Characteristics

68.3

0.8

1.342±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:176.17
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:176.058577502
Monoisotopic Mass:176.058577502
Topological Polar Surface Area:68.3
Heavy Atom Count:13
Complexity:235
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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