Cas no 53935-69-6 (4,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile)

4,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile structure
53935-69-6 structure
Product Name:4,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile
CAS No:53935-69-6
MF:C12H11NO2
MW:201.221243143082
CID:2831014
PubChem ID:12348712
Update Time:2025-04-21

4,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • DTXSID10493106
    • 4,6,7-Trimethyl-1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile
    • 4,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile
    • 53935-69-6
    • Inchi: 1S/C12H11NO2/c1-6-7(2)11-10(5-15-12(11)14)8(3)9(6)4-13/h5H2,1-3H3
    • InChI Key: VLDZBWQAZOQSAK-UHFFFAOYSA-N
    • SMILES: O1C(C2C(C)=C(C)C(C#N)=C(C)C=2C1)=O

Computed Properties

  • Exact Mass: 201.078978594Da
  • Monoisotopic Mass: 201.078978594Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 330
  • 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: 50.1?2

4,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile Related Literature

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