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Home > Encyclopedia > Benzeneacetonitrile, 3-methyl-alpha-(1-oxopropoxy)-, (alphaS)- (9CI)

Benzeneacetonitrile, 3-methyl-alpha-(1-oxopropoxy)-, (alphaS)- (9CI)

Benzeneacetonitrile, 3-methyl-alpha-(1-oxopropoxy)-, (alphaS)- (9CI) structure

Benzeneacetonitrile, 3-methyl-alpha-(1-oxopropoxy)-, (alphaS)- (9CI) 

structure
  • CAS No:

    797800-85-2

  • Formula:

    C12H13NO2

  • Chemical Name:

    Benzeneacetonitrile, 3-methyl-alpha-(1-oxopropoxy)-, (alphaS)- (9CI)

  • Synonyms:

    (S)-Cyano(3-methylphenyl)methyl propanoate;ZINC106881100

Benzeneacetonitrile, 3-methyl-alpha-(1-oxopropoxy)-, (alphaS)- (9CI) Basic Attributes

203.23712

203.095

Characteristics

50.1

2.4

1.094±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:203.24
XLogP3:2.4
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
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of Benzeneacetonitrile, 3-methyl-alpha-(1-oxopropoxy)-, (alphaS)- (9CI)

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