Cas no 26843-47-0 (4-oxatricyclo5.2.2.0,2,6undecane-3,5-dione)

4-oxatricyclo5.2.2.0,2,6undecane-3,5-dione structure
26843-47-0 structure
Product Name:4-oxatricyclo5.2.2.0,2,6undecane-3,5-dione
CAS No:26843-47-0
MF:C10H12O3
MW:180.200483322144
CID:271621
PubChem ID:252250
Update Time:2025-04-19

4-oxatricyclo5.2.2.0,2,6undecane-3,5-dione Chemical and Physical Properties

Names and Identifiers

    • 4,7-Ethanoisobenzofuran-1,3-dione,hexahydro-
    • BICYCLO[2.2.2]OCTANE-2 3-DICARBOXYLIC ANHYDRIDE
    • 4-oxatricyclo5.2.2.0,2,6undecane-3,5-dione
    • CS-0238815
    • bicyclo[2.2.2]octane-2,3-dicarboxylic anhydride
    • SCHEMBL17243591
    • BBA84347
    • EN300-2009992
    • NSC-73663
    • Hexahydro-4,7-ethanoisobenzofuran-1,3-dione
    • DTXSID40291177
    • BRHQMPOFCRGJCM-UHFFFAOYSA-N
    • SCHEMBL394397
    • MFCD00180708
    • NSC73663
    • FT-0622961
    • bicyclo[2.2.2]octane-2,3dicarboxylic anhydride
    • BICYCLO[2.2.2]OCTANE-2,3-DICARBOXYLICANHYDRIDE
    • 4-Oxatricyclo[5.2.2.02,6]undecane-3,5-dione
    • AKOS006345016
    • 26843-47-0
    • SY320557
    • NCIOpen2_000426
    • 4-Oxatricyclo[5.2.2.0,2,6]undecane-3,5-dione
    • 4-oxa-tricyclo[5.2.2.02,6]undecane-3,5-dione
    • Inchi: 1S/C10H12O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h5-8H,1-4H2
    • InChI Key: BRHQMPOFCRGJCM-UHFFFAOYSA-N
    • SMILES: O1C(C2C(C1=O)C1CCC2CC1)=O

Computed Properties

  • Exact Mass: 180.07866
  • Monoisotopic Mass: 180.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 248
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.4A^2
  • XLogP3: 1.8

Experimental Properties

  • Refractive Index: 1.569
  • PSA: 43.37

4-oxatricyclo5.2.2.0,2,6undecane-3,5-dione Pricemore >>

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