Cas no 65645-59-2 (1-(3-nitro-4-pyridinyl)-2-Propanone)

1-(3-nitro-4-pyridinyl)-2-Propanone structure
65645-59-2 structure
Product Name:1-(3-nitro-4-pyridinyl)-2-Propanone
CAS No:65645-59-2
MF:C8H8N2O3
MW:180.16072177887
CID:1115517
PubChem ID:12407504
Update Time:2025-04-20

1-(3-nitro-4-pyridinyl)-2-Propanone Chemical and Physical Properties

Names and Identifiers

    • 1-(3-nitro-4-pyridinyl)-2-Propanone
    • 1-(3-nitropyridin-4-yl)propan-2-one
    • (3-nitro-4-pyridyl)acetone
    • DTXSID10496834
    • 65645-59-2
    • AKOS012500893
    • Inchi: 1S/C8H8N2O3/c1-6(11)4-7-2-3-9-5-8(7)10(12)13/h2-3,5H,4H2,1H3
    • InChI Key: GIVOGPLWZNUDML-UHFFFAOYSA-N
    • SMILES: O=C(C)CC1C=CN=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 180.05349212g/mol
  • Monoisotopic Mass: 180.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 212
  • 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: 0.3
  • Topological Polar Surface Area: 75.8?2
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