Cas no 71521-99-8 (Isoquinoline,4,6,7-trimethoxy-)

Isoquinoline,4,6,7-trimethoxy- structure
71521-99-8 structure
Product Name:Isoquinoline,4,6,7-trimethoxy-
CAS No:71521-99-8
MF:C12H13NO3
MW:219.236523389816
CID:548314
PubChem ID:45117042
Update Time:2025-04-19

Isoquinoline,4,6,7-trimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline,4,6,7-trimethoxy-
    • 4,6,7-Trimethoxyisoquinoline
    • Isoquinoline, 4,6,7-trimethoxy- (9CI)
    • 71521-99-8
    • Inchi： 1S/C12H13NO3/c1-14-10-4-8-6-13-7-12(16-3)9(8)5-11(10)15-2/h4-7H,1-3H3
    • InChI Key： GZYGFGXEJLWASG-UHFFFAOYSA-N
    • SMILES： O(C)C1C(=CC2C=NC=C(C=2C=1)OC)OC

Computed Properties

  • Exact Mass: 219.08959
  • Monoisotopic Mass: 219.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 224
  • 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
  • Topological Polar Surface Area: 40.6?2

Experimental Properties

  • PSA: 40.58

Isoquinoline,4,6,7-trimethoxy- Related Literature

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