Cas no 117272-33-0 (Furo[3,4-e]benzoxazole(9CI))

Furo[3,4-e]benzoxazole(9CI) structure
Furo[3,4-e]benzoxazole(9CI) structure
Product Name:Furo[3,4-e]benzoxazole(9CI)
CAS No:117272-33-0
MF:C9H5NO2
MW:159.141502141953
CID:132699
PubChem ID:45120275
Update Time:2025-04-19

Furo[3,4-e]benzoxazole(9CI) Chemical and Physical Properties

Names and Identifiers

    • Furo[3,4-e]benzoxazole(9CI)
    • furo[3,4-e][1,3]benzoxazole
    • Isobenzofuro[4,5-d]oxazole
    • DTXSID30668970
    • 117272-33-0
    • Furo[3,4-e]benzoxazole (9CI)
    • Inchi: 1S/C9H5NO2/c1-2-8-9(10-5-12-8)7-4-11-3-6(1)7/h1-5H
    • InChI Key: KBCNCDYLFHGKJP-UHFFFAOYSA-N
    • SMILES: O1C=NC2=C1C=CC1=COC=C21

Computed Properties

  • Exact Mass: 159.03205
  • Monoisotopic Mass: 159.032028402g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 185
  • 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: 2.1
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • PSA: 39.17
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