Cas no 61564-19-0 (2,7-Phenanthroline, 7-oxide)

2,7-Phenanthroline, 7-oxide structure
2,7-Phenanthroline, 7-oxide structure
Product Name:2,7-Phenanthroline, 7-oxide
CAS No:61564-19-0
MF:C12H8N2O
MW:196.20472240448
CID:474663
PubChem ID:12278633
Update Time:2025-04-19

2,7-Phenanthroline, 7-oxide Chemical and Physical Properties

Names and Identifiers

    • 2,7-Phenanthroline, 7-oxide
    • 7-oxido-2,7-phenanthrolin-7-ium
    • DTXSID80483852
    • 61564-19-0
    • Inchi： 1S/C12H8N2O/c15-14-7-1-2-10-11-8-13-6-5-9(11)3-4-12(10)14/h1-8H
    • InChI Key： VNHIAMLHXWRORZ-UHFFFAOYSA-N
    • SMILES： [O-][N+]1C=CC=C2C=1C=CC1C=CN=CC2=1

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: 1.4
  • Topological Polar Surface Area: 38.4?2

Experimental Properties

  • PSA: 39.83

2,7-Phenanthroline, 7-oxide Related Literature

61564-19-0 (2,7-Phenanthroline, 7-oxide) Related Products

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