Cas no 61564-17-8 (1,9-Phenanthroline, 1,9-dioxide)

1,9-Phenanthroline, 1,9-dioxide structure
61564-17-8 structure
Product Name:1,9-Phenanthroline, 1,9-dioxide
CAS No:61564-17-8
MF:C12H8N2O2
MW:212.204122543335
CID:474665
PubChem ID:12278631
Update Time:2025-04-19

1,9-Phenanthroline, 1,9-dioxide Chemical and Physical Properties

Names and Identifiers

    • 1,9-Phenanthroline, 1,9-dioxide
    • 1,9-dioxido-1,9-phenanthroline-1,9-diium
    • DTXSID60483850
    • 61564-17-8
    • Inchi: 1S/C12H8N2O2/c15-13-7-5-9-3-4-10-2-1-6-14(16)12(10)11(9)8-13/h1-8H
    • InChI Key: ABCGEHVYAKXHFG-UHFFFAOYSA-N
    • SMILES: [O-][N+]1C=CC=C2C=CC3C=C[N+](=CC=3C=12)[O-]

Computed Properties

  • Exact Mass: 212.05864
  • Monoisotopic Mass: 212.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 261
  • 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: 0.4
  • Topological Polar Surface Area: 50.9?2

Experimental Properties

  • PSA: 53.88
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