Cas no 54629-90-2 (Pyridine,4-nitro-3-(2-phenylethenyl)-, 1-oxide)

Pyridine,4-nitro-3-(2-phenylethenyl)-, 1-oxide structure
54629-90-2 structure
Product Name:Pyridine,4-nitro-3-(2-phenylethenyl)-, 1-oxide
CAS No:54629-90-2
MF:C13H10N2O3
MW:242.2301030159
CID:368694
PubChem ID:6084894
Update Time:2025-04-19

Pyridine,4-nitro-3-(2-phenylethenyl)-, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • Pyridine,4-nitro-3-(2-phenylethenyl)-, 1-oxide
    • 4-nitro-1-oxido-3-(2-phenylethenyl)pyridin-1-ium
    • 4-nitro-1-oxido-3-(2-phenylethenyl)pyridine
    • NSC-52461
    • 54629-90-2
    • SCHEMBL14292150
    • NSC52461
    • Inchi: 1S/C13H10N2O3/c16-14-9-8-13(15(17)18)12(10-14)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
    • InChI Key: ZWJLRFXTAQXYCQ-VOTSOKGWSA-N
    • SMILES: [O-][N+]1C=CC(=C(C=1)/C=C/C1C=CC=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 242.0692
  • Monoisotopic Mass: 242.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 308
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 71.3?2

Experimental Properties

  • PSA: 70.08

Pyridine,4-nitro-3-(2-phenylethenyl)-, 1-oxide Related Literature

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