Cas no 1016315-08-4 (3-(2-Methoxyethoxymethyl)benzonitrile)

3-(2-Methoxyethoxymethyl)benzonitrile structure
1016315-08-4 structure
Product Name:3-(2-Methoxyethoxymethyl)benzonitrile
CAS No:1016315-08-4
MF:C11H13NO2
MW:191.226423025131
CID:2105488
Update Time:2023-08-03

3-(2-Methoxyethoxymethyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-((2-methoxyethoxy)methyl)benzonitrile
    • SHAWMRBNXLZROV-UHFFFAOYSA-N
    • 3-(2-methoxyethoxymethyl)benzonitrile
    • 3-[(2-methoxyethoxy)methyl]benzonitrile
    • 3-(2-Methoxy-ethoxymethyl)-benzonitrile
    • 3-(2-Methoxyethoxymethyl)benzonitrile
    • Inchi: 1S/C11H13NO2/c1-13-5-6-14-9-11-4-2-3-10(7-11)8-12/h2-4,7H,5-6,9H2,1H3
    • InChI Key: SHAWMRBNXLZROV-UHFFFAOYSA-N
    • SMILES: O(CCOC)CC1C=CC=C(C#N)C=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 197
  • XLogP3: 1.2
  • Topological Polar Surface Area: 42.2
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