Cas no 16728-56-6 (Pentanenitrile, 5-phenoxy-)

Pentanenitrile, 5-phenoxy- structure
Pentanenitrile, 5-phenoxy- structure
Product Name:Pentanenitrile, 5-phenoxy-
CAS No:16728-56-6
MF:C11H13NO
MW:175.227022886276
CID:1347278
PubChem ID:565154
Update Time:2025-04-20

Pentanenitrile, 5-phenoxy- Chemical and Physical Properties

Names and Identifiers

    • Pentanenitrile, 5-phenoxy-
    • 5-phenoxypentanenitrile
    • 16728-56-6
    • SCHEMBL11799195
    • VGTBEYRZXSEIMZ-UHFFFAOYSA-N
    • AKOS009035176
    • 5-Phenoxypentanenitrile #
    • Inchi: 1S/C11H13NO/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,10H2
    • InChI Key: VGTBEYRZXSEIMZ-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)CCCCC#N

Computed Properties

  • Exact Mass: 175.09979
  • Monoisotopic Mass: 175.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 164
  • 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: 2.7
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • PSA: 33.02

Pentanenitrile, 5-phenoxy- Pricemore >>

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