Cas no 55447-58-0 (Hexanedioic acid, polymer with hexahydro-1,3-isobenzofurandione and 1,6-hexanediol)

Hexanedioic acid, polymer with hexahydro-1,3-isobenzofurandione and 1,6-hexanediol structure
55447-58-0 structure
Product Name:Hexanedioic acid, polymer with hexahydro-1,3-isobenzofurandione and 1,6-hexanediol
CAS No:55447-58-0
MF:C20H34O9
MW:418.47856760025
CID:384718
Update Time:2024-01-29

Hexanedioic acid, polymer with hexahydro-1,3-isobenzofurandione and 1,6-hexanediol Chemical and Physical Properties

Names and Identifiers

    • Hexanedioic acid, polymer with hexahydro-1,3-isobenzofurandione and 1,6-hexanediol
    • 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione,hexanedioic acid,hexane-1,6-diol
    • hexanedioic acid, polymer with hexahydro-1,3-isobenzofurandione and 1,6-hexaned
    • hexanedioic acid, polymer withhexahydro-1,3-isobenzofurandione and 1,6-hexanediol
    • Hexanedioic acid,polymer with hexahydro-1,3-isobenzofurandione and 1,6-hexanediol
    • Inchi: 1S/C8H10O3.C6H10O4.C6H14O2/c9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8/h5-6H,1-4H2;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2
    • InChI Key: RZVZUKYFGHCFRZ-UHFFFAOYSA-N
    • SMILES: O1C(C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])C1=O)=O.O([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])O[H].O([H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H])=O

Computed Properties

  • Exact Mass: 418.220283
  • Monoisotopic Mass: 418.220283
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 10
  • Complexity: 333
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 158

Hexanedioic acid, polymer with hexahydro-1,3-isobenzofurandione and 1,6-hexanediol Related Literature

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