Cas no 128040-58-4 (7-methoxy-5H-Pyrido[4,3-b]indole)

7-methoxy-5H-Pyrido[4,3-b]indole structure
128040-58-4 structure
Product Name:7-methoxy-5H-Pyrido[4,3-b]indole
CAS No:128040-58-4
MF:C12H10N2O
MW:198.22060251236
CID:1103988
PubChem ID:10655565
Update Time:2025-04-20

7-methoxy-5H-Pyrido[4,3-b]indole Chemical and Physical Properties

Names and Identifiers

    • 7-methoxy-5H-Pyrido[4,3-b]indole
    • DB-350833
    • 128040-58-4
    • Inchi: 1S/C12H10N2O/c1-15-8-2-3-9-10-7-13-5-4-11(10)14-12(9)6-8/h2-7,14H,1H3
    • InChI Key: UITTVIWEVMGHNB-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC2C3C=NC=CC=3NC=2C=1

Computed Properties

  • Exact Mass: 198.079312947g/mol
  • Monoisotopic Mass: 198.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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: 2.3
  • Topological Polar Surface Area: 37.9?2
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