Cas no 31125-05-0 (Ethanone,1-(4-nitrosophenyl)-)

Ethanone,1-(4-nitrosophenyl)- structure
Ethanone,1-(4-nitrosophenyl)- structure
Product Name:Ethanone,1-(4-nitrosophenyl)-
CAS No:31125-05-0
MF:C8H7NO2
MW:149.146682024002
CID:313709
PubChem ID:94417
Update Time:2025-04-19

Ethanone,1-(4-nitrosophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(4-nitrosophenyl)-
    • 1-(4-nitrosophenyl)ethanone
    • 1-Acetyl-4-Nitrosobenzene
    • InChI=1/C8H7NO2/c1-6(10)7-2-4-8(9-11)5-3-7/h2-5H,1H
    • METHYL 4-NITROSOPHENYL KETONE
    • 2J0CZ0HL53
    • UNII-2J0CZ0HL53
    • 4-NITROSOACETOPHENONE
    • 1-(4-Nitrosophenyl)ethan-1-one
    • FPAWCBFVQUUUIB-UHFFFAOYSA-N
    • CCRIS 2150
    • SCHEMBL10223094
    • p-Nitrosoacetophenone
    • Ethanone, 1-(4-nitrosophenyl)-
    • 31125-05-0
    • 1-(4-Nitrosophenyl)ethanone #
    • DTXSID40953223
    • Inchi: 1S/C8H7NO2/c1-6(10)7-2-4-8(9-11)5-3-7/h2-5H,1H3
    • InChI Key: FPAWCBFVQUUUIB-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C=CC(=CC=1)N=O

Computed Properties

  • Exact Mass: 149.04771
  • Monoisotopic Mass: 149.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 160
  • 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

  • Density: 1.13
  • Boiling Point: 279.2°Cat760mmHg
  • Flash Point: 112.5°C
  • Refractive Index: 1.544
  • PSA: 46.5
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