Cas no 67632-32-0 (1(3H)-Isobenzofuranone, 5,6,7-trimethoxy-)

1(3H)-Isobenzofuranone, 5,6,7-trimethoxy- structure
67632-32-0 structure
Product Name:1(3H)-Isobenzofuranone, 5,6,7-trimethoxy-
CAS No:67632-32-0
MF:C11H12O5
MW:224.209983825684
CID:394431
PubChem ID:14776376
Update Time:2025-04-19

1(3H)-Isobenzofuranone, 5,6,7-trimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 1(3H)-Isobenzofuranone, 5,6,7-trimethoxy-
    • 5,6,7-trimethoxy-3H-2-benzofuran-1-one
    • DTXSID30563916
    • 67632-32-0
    • 5,6,7-Trimethoxy-2-benzofuran-1(3H)-one
    • Inchi： 1S/C11H12O5/c1-13-7-4-6-5-16-11(12)8(6)10(15-3)9(7)14-2/h4H,5H2,1-3H3
    • InChI Key： ROXIQWKHVBFCEJ-UHFFFAOYSA-N
    • SMILES： O1C(C2C(=C(C(=CC=2C1)OC)OC)OC)=O

Computed Properties

  • Exact Mass: 224.06846
  • Monoisotopic Mass: 224.06847348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 267
  • 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: 1.3
  • Topological Polar Surface Area: 54?2

Experimental Properties

  • PSA: 53.99

1(3H)-Isobenzofuranone, 5,6,7-trimethoxy- Related Literature

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