Cas no 363185-45-9 (3-(propan-2-yloxy)benzonitrile)

3-(propan-2-yloxy)benzonitrile structure
363185-45-9 structure
Product Name:3-(propan-2-yloxy)benzonitrile
CAS No:363185-45-9
MF:C10H11NO
MW:161.200442552567
CID:1478778
PubChem ID:22344016
Update Time:2025-04-21

3-(propan-2-yloxy)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 3-(1-methylethoxy)-
    • 3-(1-methylethoxy)benzonitrile
    • OYUCWSBVVRRERP-UHFFFAOYSA-N
    • CS-0216637
    • EN300-53271
    • 3-(propan-2-yloxy)benzonitrile
    • G10148
    • Z54464105
    • 363185-45-9
    • SCHEMBL757193
    • AKOS000114293
    • 3-isopropoxybenzonitrile
    • DA-06418
    • 3-propan-2-yloxybenzonitrile
    • Inchi: 1S/C10H11NO/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8H,1-2H3
    • InChI Key: OYUCWSBVVRRERP-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=C(C#N)C=1)C(C)C

Computed Properties

  • Exact Mass: 161.08413
  • Monoisotopic Mass: 161.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 180
  • 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: 2.2
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • PSA: 33.02

3-(propan-2-yloxy)benzonitrile Pricemore >>

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