Cas no 25826-59-9 (Benzofuran, 3,4,6-trimethyl-)

Benzofuran,  3,4,6-trimethyl- structure
Benzofuran, 3,4,6-trimethyl- structure
Product Name:Benzofuran, 3,4,6-trimethyl-
CAS No:25826-59-9
MF:C11H12O
MW:160.212383270264
CID:242357
PubChem ID:45122573
Update Time:2025-04-19

Benzofuran, 3,4,6-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzofuran, 3,4,6-trimethyl-
    • 3,4,6-trimethyl-1-benzofuran
    • AKOS026733684
    • 25826-59-9
    • 3,4,6-Trimethylbenzofuran
    • DTXSID40669332
    • Inchi: 1S/C11H12O/c1-7-4-8(2)11-9(3)6-12-10(11)5-7/h4-6H,1-3H3
    • InChI Key: PWTRQDXISHYXEP-UHFFFAOYSA-N
    • SMILES: O1C=C(C)C2=C1C=C(C)C=C2C

Computed Properties

  • Exact Mass: 160.08886
  • Monoisotopic Mass: 160.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 166
  • 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: 13.1A^2
  • XLogP3: 3.4

Experimental Properties

  • PSA: 13.14
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