Cas no 53944-40-4 (7-Acetyl-5-oxo-5H-1benzopyrano2,3-bpyridine)

7-Acetyl-5-oxo-5H-1benzopyrano2,3-bpyridine structure
53944-40-4 structure
Product Name:7-Acetyl-5-oxo-5H-1benzopyrano2,3-bpyridine
CAS No:53944-40-4
MF:C14H9NO3
MW:239.226163625717
CID:368517
Update Time:2025-04-19

7-Acetyl-5-oxo-5H-1benzopyrano2,3-bpyridine Chemical and Physical Properties

Names and Identifiers

    • 5H-[1]Benzopyrano[2,3-b]pyridin-5-one,7-acetyl-
    • 7-Acetyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine
    • 7-Acetyl-5-oxo-5H-(1)benzopyra
    • 7-acetylchromeno[2,3-b]pyridin-5-one
    • 7-Acetyl-5-oxo-5H-1benzopyrano2,3-bpyridine
    • Inchi: 1S/C14H9NO3/c1-8(16)9-4-5-12-11(7-9)13(17)10-3-2-6-15-14(10)18-12/h2-7H,1H3
    • InChI Key: ZYGDCOJTJFQANG-UHFFFAOYSA-N
    • SMILES: O1C2C(=CC=CN=2)C(C2C=C(C(C)=O)C=CC1=2)=O

Computed Properties

  • Exact Mass: 239.05827
  • Monoisotopic Mass: 239.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 368
  • 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
  • Topological Polar Surface Area: 56.3A^2

Experimental Properties

  • Density: 1.341
  • Boiling Point: 446.8°Cat760mmHg
  • Flash Point: 224°C
  • Refractive Index: 1.632
  • PSA: 56.26

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