Cas no 1071973-96-0 (5-methoxy-6-methyl-1H-Indole-3-carbonitrile)

5-methoxy-6-methyl-1H-Indole-3-carbonitrile structure
1071973-96-0 structure
Product Name:5-methoxy-6-methyl-1H-Indole-3-carbonitrile
CAS No:1071973-96-0
MF:C11H10N2O
MW:186.20990228653
CID:1098044
PubChem ID:58437440
Update Time:2025-04-20

5-methoxy-6-methyl-1H-Indole-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-methoxy-6-methyl-1H-Indole-3-carbonitrile
    • 1071973-96-0
    • DTXSID001261592
    • SCHEMBL188260
    • Inchi: 1S/C11H10N2O/c1-7-3-10-9(4-11(7)14-2)8(5-12)6-13-10/h3-4,6,13H,1-2H3
    • InChI Key: KHIHRNCHRZMWNQ-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC2C(C#N)=CNC=2C=C1C

Computed Properties

  • Exact Mass: 186.079312947g/mol
  • Monoisotopic Mass: 186.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 257
  • 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: 2.1
  • Topological Polar Surface Area: 48.8?2

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