Dimethyl 7-Hydroxy-7'-Methoxy-4,4'-Bi-1,3-Benzodioxole-5,5'-Dicarboxylate

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Properties Simple | Detailed

Formula C19H16O10
IUPAC Name methyl 7-hydroxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate
Molecular Mass 404.324 g·mol−1
Heat of Formation -1340.4 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 426.76 Å 3
Surface Area 350.47 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic acid, 7-hydroxy-7'-methoxy-, (z,e,e,e,e)-
  • 4-(5-carbomethoxy-7-hydroxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid methyl ester
  • 4-(7-hydroxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid methyl ester
  • 4-demethyl-bdd
  • 4-dmbdd
  • 7-demethyl-bdd
  • 7-hydroxy-7'-methoxy-4,4'-bis(1,3-benzodioxole)-5,5'-dicarboxylic acid dimethyl ester
  • 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
  • methyl 4-(7-hydroxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carboxylate
  • mono-o-demethylated bdd
CAS Number(s)
  • 91828-88-5
InChIKey PGORXRYYHHQBMW-UHFFFAOYSA-N
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