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Home > Encyclopedia > β-Oxo-2-naphthalenepropanenitrile

β-Oxo-2-naphthalenepropanenitrile

β-Oxo-2-naphthalenepropanenitrile structure

β-Oxo-2-naphthalenepropanenitrile 

structure
  • CAS No:

    613-57-0

  • Formula:

    C13H9NO

  • Chemical Name:

    β-Oxo-2-naphthalenepropanenitrile

  • Synonyms:

    2-Naphthalenepropanenitrile,β-oxo-;Acetonitrile,(2-naphthoyl)-;β-Oxo-2-naphthalenepropanenitrile;2-Naphthoylacetonitrile;β-Oxo-2-naphthalenepropionitrile;NSC 9851;3-(Naphthalen-2-yl)-3-oxopropionitrile;3-(Naphthalen-2-yl)-3-oxopropanenitrile

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

β-Oxo-2-naphthalenepropanenitrile Basic Attributes

195.21700

195.22

9851

DTXSID60278748

Characteristics

40.86000

2.93618

1.183g/cm3

127.6-128.2 °C

405ºC at 760 mmHg

198.7ºC

1.629

Computed Properties

Molecular Weight:195.22
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:195.068413911
Monoisotopic Mass:195.068413911
Topological Polar Surface Area:40.9
Heavy Atom Count:15
Complexity:288
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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