Cas no 73480-89-4 (Isoquinoline, 7-methoxy-1,3-dimethyl-)

Isoquinoline, 7-methoxy-1,3-dimethyl- structure
73480-89-4 structure
Product Name:Isoquinoline, 7-methoxy-1,3-dimethyl-
CAS No:73480-89-4
MF:C12H13NO
MW:187.237723112106
CID:542395
PubChem ID:13046101
Update Time:2025-04-19

Isoquinoline, 7-methoxy-1,3-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 7-methoxy-1,3-dimethyl-
    • 7-methoxy-1,3-dimethylisoquinoline
    • 73480-89-4
    • DTXSID30516240
    • Inchi: 1S/C12H13NO/c1-8-6-10-4-5-11(14-3)7-12(10)9(2)13-8/h4-7H,1-3H3
    • InChI Key: GXEAPQGYQOUGSL-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC2C=C(C)N=C(C)C=2C=1

Computed Properties

  • Exact Mass: 187.099714038g/mol
  • Monoisotopic Mass: 187.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 195
  • 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: 22.1?2
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