Cas no 70786-42-4 (3-(2-methoxyphenoxy)propanenitrile)

3-(2-methoxyphenoxy)propanenitrile structure
70786-42-4 structure
Product Name:3-(2-methoxyphenoxy)propanenitrile
CAS No:70786-42-4
MF:C10H11NO2
MW:177.199842691422
MDL:MFCD03150762
CID:546688
PubChem ID:2133913
Update Time:2025-04-19

3-(2-methoxyphenoxy)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • Propanenitrile, 3-(2-methoxyphenoxy)-
    • 3-(2-Methoxyphenoxy)propanenitrile
    • MFCD03150762
    • AKOS000206653
    • DTXSID30366681
    • CS-0235824
    • EN300-16185
    • 70786-42-4
    • Z54337532
    • 3-(2-methoxyphenoxy)propanenitrile
    • MDL： MFCD03150762
    • Inchi： 1S/C10H11NO2/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h2-3,5-6H,4,8H2,1H3
    • InChI Key： ZHOBJDTXXGTSDQ-UHFFFAOYSA-N
    • SMILES： O(CCC#N)C1C=CC=CC=1OC

Computed Properties

  • Exact Mass: 177.07903
  • Monoisotopic Mass: 177.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 185
  • 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: 1.3
  • Topological Polar Surface Area: 42.2?2

Experimental Properties

  • PSA: 42.25

3-(2-methoxyphenoxy)propanenitrile Pricemore >>

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