Cas no 3055-91-2 (Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis-)

Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis- structure
3055-91-2 structure
Product Name:Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis-
CAS No:3055-91-2
MF:C12H12N2O2
MW:216.235882759094
CID:1443343
PubChem ID:458383
Update Time:2025-04-20

Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis- Chemical and Physical Properties

Names and Identifiers

    • Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis-
    • 3-[4-(2-cyanoethoxy)phenoxy]propanenitrile
    • 3,3'-(1,4-PHENYLENEDIOXY)DIPROPIONITRILE
    • 3,3'-[1,4-phenylenebis(oxy)]dipropanenitrile
    • Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis- (9CI)
    • AKOS002271099
    • MFCD00019865
    • DTXSID00332510
    • beta, beta-(p-Phenylenedioxy) dipropionitrile
    • 3055-91-2
    • SCHEMBL11767977
    • Inchi: 1S/C12H12N2O2/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6H,1-2,9-10H2
    • InChI Key: OPQLPLKJQFYQHD-UHFFFAOYSA-N
    • SMILES: O(CCC#N)C1C=CC(=CC=1)OCCC#N

Computed Properties

  • Exact Mass: 216.08996
  • Monoisotopic Mass: 216.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 248
  • 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
  • XLogP3: 1.2
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • PSA: 66.04
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