Cas no 34524-78-2 (Benzo[c]cinnoline, radical ion(1-) (9CI))

Benzo[c]cinnoline, radical ion(1-) (9CI) structure
34524-78-2 structure
Product Name:Benzo[c]cinnoline, radical ion(1-) (9CI)
CAS No:34524-78-2
MF:C12H8N2
MW:180.21
CID:5147891
PubChem ID:9190
Update Time:2024-03-01

Benzo[c]cinnoline, radical ion(1-) (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzo[c]cinnoline, radical ion(1-) (9CI)
    • Inchi: 1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H
    • InChI Key: SWJXWSAKHXBQSY-UHFFFAOYSA-N
    • SMILES: C12C=CC=CC1=NN=C1C=CC=CC=21

Computed Properties

  • Exact Mass: 180.068748264g/mol
  • Monoisotopic Mass: 180.068748264g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 183
  • 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: 2.4
  • Topological Polar Surface Area: 25.8?2
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