[1-(1,3-Benzodioxol-5-Ylcarbonyl)-5-Methoxy-2-Methyl-1H-Indol-3-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C20H17NO6
IUPAC Name 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methyl-indol-1-ium-3-yl]acetic acid
Molecular Mass 367.352 g·mol−1
Heat of Formation -731.6 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 411.96 Å 3
Surface Area 356.6 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1,3-benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-1h-indole-3-acetic acid
  • 1-(3',4'-methylenedioxybenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid
  • 1h-indole-3-acetic acid, 1-(1,3-benzodioxol-5-ylcarboxyl)-5-methoxy-2-methyl- (9ci)
  • 1h-indole-3-acetic acid, 2-methyl-1-(3,4-methylenedioxybenzoyl)-5-methoxy-
  • 2-[1-(1,3-benzodioxol-5-yl-oxomethyl)-5-methoxy-2-methyl-3-indolyl]acetic acid
  • 2-[1-(1,3-benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-indol-3-yl]ethanoic acid
  • 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid
  • 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid
  • 2-methyl-1-(3,4-methylenedioxybenzoyl)-5-methoxy-1h-indole-3-acetic acid
  • compound id-955
  • id-955
  • indole-3-acetic acid, 5-methoxy-2-methyl-1-piperonyloyl- (8ci)
CAS Number(s)
  • 21722-66-7
InChIKey SRAJRUYJYFSKSZ-UHFFFAOYSA-N
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