Cas no 855754-09-5 (Cinchoninonitrile, 3-methoxy-2-methyl- (4CI))

Cinchoninonitrile,  3-methoxy-2-methyl-  (4CI) structure
855754-09-5 structure
Product Name:Cinchoninonitrile, 3-methoxy-2-methyl- (4CI)
CAS No:855754-09-5
MF:C12H10N2O
MW:198.22060251236
CID:990683
PubChem ID:57354656
Update Time:2025-04-20

Cinchoninonitrile, 3-methoxy-2-methyl- (4CI) Chemical and Physical Properties

Names and Identifiers

    • Cinchoninonitrile, 3-methoxy-2-methyl- (4CI)
    • 3-methoxy-2-methylquinoline-4-carbonitrile
    • DTXSID90722709
    • 855754-09-5
    • 3-Methoxy-2-methyl-4-quinolinecarbonitrile
    • DB-218109
    • Inchi: 1S/C12H10N2O/c1-8-12(15-2)10(7-13)9-5-3-4-6-11(9)14-8/h3-6H,1-2H3
    • InChI Key: VUFQZDRZUGCUGW-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C)N=C2C=CC=CC2=C1C#N

Computed Properties

  • Exact Mass: 198.079312947g/mol
  • Monoisotopic Mass: 198.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 270
  • 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: 45.9?2
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