6-[(4,4-Dimethyl-3,4-Dihydro-2H-Thiochromen-6-Yl)Ethynyl]Nicotinic Acid

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Properties Simple | Detailed

Formula C19H17NO2S
IUPAC Name 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylic acid
Molecular Mass 323.409 g·mol−1
Heat of Formation 21.5 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 381.91 Å 3
Surface Area 346.04 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pyridinecarboxylic acid, 6-((3,4-dihydro-4,4-dimethyl-2h-1-benzothiopyran-6-yl)ethynyl)-
  • 6-((3,4-dihydro-4,4-dimethyl-2h-1-benzothiopyran-6-yl)ethynyl)-3-pyridinecarboxylic acid
  • 6-(2-(4,4-dimethylthiochroman-6-yl)ethynyl)nicotinic acid
  • 6-[2-(4,4-dimethyl-6-thiochromanyl)ethynyl]-3-pyridinecarboxylic acid
  • 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]nicotinic acid
  • agn 190299
  • tazarotenic acid
CAS Number(s)
  • 118292-41-4
InChIKey IQIBKLWBVJPOQO-UHFFFAOYSA-N
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