7,7'-dimethoxy-(4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic acid dimethyl ester

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 52
Total Number of Articles : 52
PubChem 108213
Molecular Formula

C20H18O10

SMILES

COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2

InChI

InChI=1S/C20H18O10/c1-23-11-5-9(19(21)25-3)13(17-15(11)27-7-29-17)14-10(20(22)26-4)6-12(24-2)16-18(14)30-8-28-16/h5-6H,7-8H2,1-4H3

synonyms
  • Bifendate
  • 73536-69-3
  • Bifendatatum
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Properties
Property Value
MW 418.3 g/mol
HBD 0
HBA 10
Rotatable Bond Count 7
Exact Mass 418.08999677 g/mol
Monoisotopic Mass 418.08999677 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 587
xlogp 2.8
Topological Polar Surface Area 108