Cas no 245662-16-2 (8-hydroxy-4-methoxy-9H-Pyrido[3,4-b]indole-1-carbonitrile)

8-hydroxy-4-methoxy-9H-Pyrido[3,4-b]indole-1-carbonitrile structure
245662-16-2 structure
Product Name:8-hydroxy-4-methoxy-9H-Pyrido[3,4-b]indole-1-carbonitrile
CAS No:245662-16-2
MF:C14H12N2O2
MW:240.257283210754
CID:1109712
PubChem ID:10776426
Update Time:2025-04-20

8-hydroxy-4-methoxy-9H-Pyrido[3,4-b]indole-1-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 8-hydroxy-4-methoxy-9H-Pyrido[3,4-b]indole-1-carbonitrile
    • 245662-16-2
    • DB-360028
    • Inchi: 1S/C14H12N2O2/c1-8-7-15-13(14(17)18-2)12-11(8)9-5-3-4-6-10(9)16-12/h3-7,16H,1-2H3
    • InChI Key: FMMXEVPTNMDQKU-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C2=C(C(C)=CN=1)C1C=CC=CC=1N2)=O

Computed Properties

  • Exact Mass: 240.089877630g/mol
  • Monoisotopic Mass: 240.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 334
  • 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: 2.9
  • Topological Polar Surface Area: 55?2
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