Cas no 20928-01-2 (dibenzo[b,d]furan-2-yl acetate)

dibenzo[b,d]furan-2-yl acetate structure
20928-01-2 structure
Product Name:dibenzo[b,d]furan-2-yl acetate
CAS No:20928-01-2
MF:C14H10O3
MW:226.227404117584
CID:1401615
PubChem ID:177153
Update Time:2025-04-20

dibenzo[b,d]furan-2-yl acetate Chemical and Physical Properties

Names and Identifiers

    • dibenzo[b,d]furan-2-yl acetate
    • dibenzofuran-2-yl acetate
    • SCHEMBL20322895
    • 2-Dibenzofuranol, 2-acetate
    • 2-acetoxydibenzofuran
    • DTXSID60943202
    • 20928-01-2
    • Inchi: 1S/C14H10O3/c1-9(15)16-10-6-7-14-12(8-10)11-4-2-3-5-13(11)17-14/h2-8H,1H3
    • InChI Key: PJBKWXIXRDXEDP-UHFFFAOYSA-N
    • SMILES: O1C2C=CC=CC=2C2C=C(C=CC1=2)OC(C)=O

Computed Properties

  • Exact Mass: 226.063
  • Monoisotopic Mass: 226.062994
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 302
  • 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: 3.9
  • Topological Polar Surface Area: 39.4

Experimental Properties

  • Density: 1.27
  • Boiling Point: 367.5°C at 760 mmHg
  • Flash Point: 176.1°C
  • Refractive Index: 1.657
  • PSA: 39.44
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