6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydro-2-Naphthalenyl)Cyclopropyl]Nicotinic Acid

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Properties Simple | Detailed

Formula C24H29NO2
IUPAC Name 6-[1-(1,1,4,4,7-pentamethyltetralin-6-yl)cyclopropyl]pyridin-1-ium-3-ide-3-carboxylic acid
Molecular Mass 363.493 g·mol−1
Heat of Formation -285.0 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 468.63 Å 3
Surface Area 381.21 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pyridinecarboxylic acid, 6-(1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)cyclopropyl)-
  • 6-[1-(1,1,4,4,7-pentamethyl-6-tetralinyl)cyclopropyl]-3-pyridinecarboxylic acid
  • 6-[1-(1,1,4,4,7-pentamethyltetralin-6-yl)cyclopropyl]nicotinic acid
  • 6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
  • 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
  • lg 100268
  • lg2
CAS Number(s)
  • 153559-76-3
InChIKey SLXTWXQUEZSSTJ-UHFFFAOYSA-N
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