Cas no 26370-06-9 (4,7-Ethanocyclobut[f]isobenzofuran-5,6-dicarboxylicacid, decahydro-1,3-dioxo-)

4,7-Ethanocyclobut[f]isobenzofuran-5,6-dicarboxylicacid, decahydro-1,3-dioxo- structure
26370-06-9 structure
Product Name:4,7-Ethanocyclobut[f]isobenzofuran-5,6-dicarboxylicacid, decahydro-1,3-dioxo-
CAS No:26370-06-9
MF:C14H14O7
MW:294.256764888763
CID:262984
PubChem ID:71358713
Update Time:2025-04-19

4,7-Ethanocyclobut[f]isobenzofuran-5,6-dicarboxylicacid, decahydro-1,3-dioxo- Chemical and Physical Properties

Names and Identifiers

    • 4,7-Ethanocyclobut[f]isobenzofuran-5,6-dicarboxylicacid, decahydro-1,3-dioxo-
    • Tricyclo[4.2.2.02,5]decane-3,4,7,8-tetracarboxylicacid, cyclic 7,8-anhydride (8CI)
    • CTK1A3400
    • 1,3-Dioxodecahydro-4,7-ethanocyclobuta[f][2]benzofuran-5,6-dicarboxylic acid
    • DTXSID60782678
    • 26370-06-9
    • Inchi: 1S/C14H14O7/c15-11(16)9-5-3-1-2-4(6(5)10(9)12(17)18)8-7(3)13(19)21-14(8)20/h3-10H,1-2H2,(H,15,16)(H,17,18)
    • InChI Key: ITKOHMDJOBJZCX-UHFFFAOYSA-N
    • SMILES: O1C(C2C(C1=O)C1CCC2C2C(C(=O)O)C(C(=O)O)C21)=O

Computed Properties

  • Exact Mass: 294.07392
  • Monoisotopic Mass: 294.07395278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 532
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 118?2

Experimental Properties

  • PSA: 117.97
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