2-{4-[Bis(Carboxymethyl)Amino]-3-(Carboxymethoxy)Phenyl}-1H-Indole-6-Carboxylic Acid

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Formula C21H18N2O9
IUPAC Name 2-[4-(bis(carboxymethyl)amino)-3-(carboxymethyloxy)phenyl]-1h-indole-6-carboxylic acid
Molecular Mass 442.376 g·mol−1
Heat of Formation -1347.0 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 476.17 Å 3
Surface Area 413.76 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-6-carboxylic acid, 2-(4-(bis(carboxymethyl)amino)-3-(carboxymethoxy)phenyl)-
  • 2-(4-(bis(carboxymethyl)amino)-3-(carboxymethoxy)phenyl)-1h-indole-6-carboxylic acid
  • 2-(4-(biscarboxymethyl)amino-3-(carboxymethoxy)phenyl)-1h-indole-6-carboxylic acid
  • mag-indo-1
CAS Number(s)
  • 135446-92-3
InChIKey PDDJAJCJQXFQCW-UHFFFAOYSA-N
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