4-{[5,5-Dimethyl-8-(4-Methylphenyl)-5,6-Dihydro-2-Naphthalenyl]Ethynyl}Benzoic Acid

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Properties Simple | Detailed

Formula C28H24O2
IUPAC Name 4-[2-[5,5-dimethyl-8-(p-tolyl)-6h-naphthalen-2-yl]ethynyl]benzoic acid
Molecular Mass 392.489 g·mol−1
Heat of Formation 77.1 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 495.55 Å 3
Surface Area 434.62 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6h-naphthalen-2-yl]ethynyl]benzoic acid
  • agn 193109
  • benzoic acid, 4-((5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2- naphthalenyl)ethynyl)-
  • cd 3106
CAS Number(s)
  • 171746-21-7
InChIKey NCEQLLNVRRTCKJ-UHFFFAOYSA-N
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