Cas no 90178-73-7 (4-4-(hydroxymethyl)phenoxybenzonitrile)

4-4-(hydroxymethyl)phenoxybenzonitrile structure
90178-73-7 structure
Product Name:4-4-(hydroxymethyl)phenoxybenzonitrile
CAS No:90178-73-7
MF:C14H11NO2
MW:225.242643594742
CID:792422
PubChem ID:13238541
Update Time:2025-04-19

4-4-(hydroxymethyl)phenoxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 4-[4-(hydroxymethyl)phenoxy]-
    • 4-[4-(hydroxymethyl)phenoxy]benzonitrile
    • 4-(4-(hydroxymethyl)phenoxy)benzonitrile
    • 4-(4-cyanophenoxy)-benzyl alcohol
    • 4-(4-Hydroxymethylphenoxy)benzonitril
    • Benzonitrile,4-[4-(hydroxymethyl)phenoxy]
    • 4-4-(hydroxymethyl)phenoxybenzonitrile
    • 90178-73-7
    • EN300-12789815
    • SCHEMBL3233441
    • DTXSID10531092
    • AKOS005880913
    • Inchi: 1S/C14H11NO2/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8,16H,10H2
    • InChI Key: ABNRYDSHFGPVEV-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C#N)=CC=1)C1C=CC(CO)=CC=1

Computed Properties

  • Exact Mass: 225.07900
  • Monoisotopic Mass: 225.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 267
  • 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: 2.3
  • Topological Polar Surface Area: 53.2?2

Experimental Properties

  • PSA: 53.25000
  • LogP: 2.84288

4-4-(hydroxymethyl)phenoxybenzonitrile Pricemore >>

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