Cas no 27452-38-6 (Quinolinium,8-(acetyloxy)-1-methyl-)

Quinolinium,8-(acetyloxy)-1-methyl- structure
27452-38-6 structure
Product Name:Quinolinium,8-(acetyloxy)-1-methyl-
CAS No:27452-38-6
MF:C12H12NO2
MW:202.229183197021
CID:259511
PubChem ID:842037
Update Time:2025-04-19

Quinolinium,8-(acetyloxy)-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • Quinolinium,8-(acetyloxy)-1-methyl-
    • Quinolinium, 8-(acetyloxy)-1-methyl-
    • AKOS000526240
    • 27452-38-6
    • DTXSID80950135
    • BAS 00131485
    • 8-(Acetyloxy)-1-methyl-quinolinium
    • 8-(ACETYLOXY)-1-METHYLQUINOLIN-1-IUM
    • Inchi: 1S/C12H12NO2/c1-9(14)15-11-7-3-5-10-6-4-8-13(2)12(10)11/h3-8H,1-2H3/q+1
    • InChI Key: DJMBTVQYVRRVEO-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C1=CC=CC2=CC=C[N+](C)=C21

Computed Properties

  • Exact Mass: 202.08686
  • Monoisotopic Mass: 202.086803626g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 242
  • 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: 30.2?2

Experimental Properties

  • PSA: 30.18
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