Cas no 61564-14-5 (Benzo[f][1,7]naphthyridine, 6-oxide)

Benzo[f][1,7]naphthyridine, 6-oxide structure
61564-14-5 structure
Product Name:Benzo[f][1,7]naphthyridine, 6-oxide
CAS No:61564-14-5
MF:C12H8N2O
MW:196.20472240448
CID:474668
PubChem ID:12278628
Update Time:2025-04-19

Benzo[f][1,7]naphthyridine, 6-oxide Chemical and Physical Properties

Names and Identifiers

    • Benzo[f][1,7]naphthyridine, 6-oxide
    • 6-oxidobenzo[f][1,7]naphthyridin-6-ium
    • 61564-14-5
    • DTXSID30483847
    • Inchi: 1S/C12H8N2O/c15-14-8-11-9(5-3-7-13-11)10-4-1-2-6-12(10)14/h1-8H
    • InChI Key: RGPQRYQDLTZUMH-UHFFFAOYSA-N
    • SMILES: [O-][N+]1C=C2C(C=CC=N2)=C2C=CC=CC=12

Computed Properties

  • Exact Mass: 196.06374
  • Monoisotopic Mass: 196.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 234
  • 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: 1.5
  • Topological Polar Surface Area: 38.4?2

Experimental Properties

  • PSA: 39.83
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