Cas no 91828-88-5 ([4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylicacid, 7-hydroxy-7'-methoxy-, 5,5'-dimethyl ester)

[4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylicacid, 7-hydroxy-7'-methoxy-, 5,5'-dimethyl ester structure
91828-88-5 structure
Product Name:[4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylicacid, 7-hydroxy-7'-methoxy-, 5,5'-dimethyl ester
CAS No:91828-88-5
MF:C19H16O10
MW:404.324346542358
CID:806097
PubChem ID:124746
Update Time:2025-04-19

[4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylicacid, 7-hydroxy-7'-methoxy-, 5,5'-dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • [4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylicacid, 7-hydroxy-7'-methoxy-, 5,5'-dimethyl ester
    • 7-hydroxy-7'-methoxy-4,4'-bis(1,3-benzodioxole)-5,5'-dicarboxylic acid dimethyl ester
    • methyl 7-hydroxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate
    • (4,4'-Bi-1,3-benzodioxole)-5,5'-dicarboxylic acid, 7-hydroxy-7'-methoxy-, (Z,E,E,E,E)-
    • 4-Dmbdd
    • 91828-88-5
    • Dimethyl 4-hydroxy-4'-methoxy-5,6,5',6'-bismethylenedioxybiphenyl-2,2'-dicarboxylate
    • Dimethyl-4-hydroxy-4'-methoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate
    • DTXSID80238708
    • 7-Demethyl-bdd
    • 4-Demethyl-bdd
    • NS00116033
    • Dimethyl 7-hydroxy-7'-methoxy-[4,4'-bibenzo[d][1,3]dioxole]-5,5'-dicarboxylate
    • Inchi： 1S/C19H16O10/c1-23-11-5-9(19(22)25-3)13(17-15(11)27-7-29-17)12-8(18(21)24-2)4-10(20)14-16(12)28-6-26-14/h4-5,20H,6-7H2,1-3H3
    • InChI Key： PGORXRYYHHQBMW-UHFFFAOYSA-N
    • SMILES： O1COC2=C(C=C(C(=O)OC)C(=C12)C1C(C(=O)OC)=CC(=C2C=1OCO2)O)OC

Computed Properties

  • Exact Mass: 404.07434670g/mol
  • Monoisotopic Mass: 404.07434670g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 6
  • Complexity: 626
  • 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: 2.5
  • Topological Polar Surface Area: 119?2

[4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylicacid, 7-hydroxy-7'-methoxy-, 5,5'-dimethyl ester Related Literature

91828-88-5 ([4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylicacid, 7-hydroxy-7'-methoxy-, 5,5'-dimethyl ester) Related Products

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