(1-Isobutyl-2,6,6-Trimethyl-4-Oxo-4,5,6,7-Tetrahydro-1H-Indol-3-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C17H25NO3
IUPAC Name 2-(1-isobutyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-ium-7a-ylium-3-yl)acetic acid
Molecular Mass 291.385 g·mol−1
Heat of Formation -667.9 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 373.96 Å 3
Surface Area 309.53 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-methylpropyl)-4-oxo-2,6,6-trimethyl-4,5,6,7-tetrahydro-1h-indol-3-acetic acid
  • 1h-indole-3-acetic acid, 4,5,6,7-tetrahydro-1-(2-methylpropyl)-4-oxo-2,6,6-trimethyl-
  • 2-(1-isobutyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)acetic acid
  • 2-(1-isobutyl-4-keto-2,6,6-trimethyl-5,7-dihydroindol-3-yl)acetic acid
  • 2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxo-5,7-dihydroindol-3-yl]acetic acid
  • 2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxo-5,7-dihydroindol-3-yl]ethanoic acid
  • 4,5,6,7-tetrahydro-1-(2-methylpropyl)-4-oxo-2,6,6-trimethyl-1h-indol-3-acetic acid
  • c 9001-go
CAS Number(s)
  • 121625-72-7
InChIKey VTUCUFBISPCBQM-UHFFFAOYSA-N
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