Cas no 828922-42-5 ([1,1'-Biphenyl]-2,2',3,3',5,5',6,6'-octacarboxylic acid, tetrahydrate)

[1,1'-Biphenyl]-2,2',3,3',5,5',6,6'-octacarboxylic acid, tetrahydrate structure
828922-42-5 structure
Product Name:[1,1'-Biphenyl]-2,2',3,3',5,5',6,6'-octacarboxylic acid, tetrahydrate
CAS No:828922-42-5
MF:C20H18O20
MW:578.344928264618
CID:680763
PubChem ID:71416777
Update Time:2025-04-19

[1,1'-Biphenyl]-2,2',3,3',5,5',6,6'-octacarboxylic acid, tetrahydrate Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2,2',3,3',5,5',6,6'-octacarboxylic acid, tetrahydrate
    • 3-(2,3,5,6-tetracarboxyphenyl)benzene-1,2,4,5-tetracarboxylic acid,tetrahydrate
    • 828922-42-5
    • DTXSID50836139
    • [1,1'-Biphenyl]-2,2',3,3',5,5',6,6'-octacarboxylic acid--water (1/4)
    • Inchi： 1S/C20H10O16.4H2O/c21-13(22)3-1-4(14(23)24)8(18(31)32)11(7(3)17(29)30)12-9(19(33)34)5(15(25)26)2-6(16(27)28)10(12)20(35)36;;;;/h1-2H,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);4*1H2
    • InChI Key： LSNAZNOIXFJYOK-UHFFFAOYSA-N
    • SMILES： OC(C1C(C(=O)O)=CC(C(=O)O)=C(C(=O)O)C=1C1C(C(=O)O)=C(C(=O)O)C=C(C(=O)O)C=1C(=O)O)=O.O.O.O.O

Computed Properties

  • Exact Mass: 578.03914296g/mol
  • Monoisotopic Mass: 578.03914296g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 20
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 9
  • Complexity: 859
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 302?2

[1,1'-Biphenyl]-2,2',3,3',5,5',6,6'-octacarboxylic acid, tetrahydrate Related Literature

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