Cas no 883985-70-4 (2-(4-(benzyloxy)-2-methoxyphenyl) acetonitrile)

2-(4-(benzyloxy)-2-methoxyphenyl) acetonitrile structure
883985-70-4 structure
Product Name:2-(4-(benzyloxy)-2-methoxyphenyl) acetonitrile
CAS No:883985-70-4
MF:C16H15NO2
MW:253.295804262161
CID:1015852
Update Time:2024-03-05

2-(4-(benzyloxy)-2-methoxyphenyl) acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(4-(benzyloxy)-2-methoxyphenyl) acetonitrile
    • 2-(4-benzyloxy-2-methoxyphenyl)acetonitrile
    • 2-(2-methoxy-4-phenylmethoxyphenyl)acetonitrile
    • Inchi: 1S/C16H15NO2/c1-18-16-11-15(8-7-14(16)9-10-17)19-12-13-5-3-2-4-6-13/h2-8,11H,9,12H2,1H3
    • InChI Key: GZVNHUHLRQTJMW-UHFFFAOYSA-N
    • SMILES: C(#N)CC1=CC=C(OCC2=CC=CC=C2)C=C1OC

Computed Properties

  • Exact Mass: 253.11
  • Monoisotopic Mass: 253.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 303
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.2A^2
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