(1-Benzyl-5-Methoxy-2-Methyl-1H-Indol-3-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C19H19NO3
IUPAC Name 2-(1-benzyl-5-methoxy-2-methyl-4h-indol-1-ium-4-id-3-yl)acetic acid
Molecular Mass 309.359 g·mol−1
Heat of Formation -330.1 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 377.09 Å 3
Surface Area 322.2 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acid
  • 2-[1-(benzyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid
  • 2-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]acetic acid
  • 2-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]acetic acid
  • 2-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]ethanoic acid
  • i3n
CAS Number(s)
  • 59283-35-1
InChIKey ZEKCBTQHDTUHRJ-UHFFFAOYSA-N
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