Cas no 74663-99-3 (Benzaldehyde, 4-nitroso-)

Benzaldehyde, 4-nitroso- structure
Benzaldehyde, 4-nitroso- structure
Product Name:Benzaldehyde, 4-nitroso-
CAS No:74663-99-3
MF:C7H5NO2
MW:135.120101690292
CID:540697
PubChem ID:11768628
Update Time:2025-04-19

Benzaldehyde, 4-nitroso- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 4-nitroso-
    • 4-nitrosobenzaldehyde
    • SCHEMBL1109066
    • 74663-99-3
    • p-Nitrosobenzaldehyd
    • DTXSID90472035
    • Inchi: 1S/C7H5NO2/c9-5-6-1-3-7(8-10)4-2-6/h1-5H
    • InChI Key: JITMZUMTIBUTHH-UHFFFAOYSA-N
    • SMILES: O=CC1C=CC(=CC=1)N=O

Computed Properties

  • Exact Mass: 135.03205
  • Monoisotopic Mass: 135.032028402g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 128
  • 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: 1.1
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.5
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