4-{[4-(4-Ethylphenyl)-2,2-Dimethyl-2H-Thiochromen-6-Yl]Ethynyl}Benzoic Acid

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Properties Simple | Detailed

Formula C28H24O2S
IUPAC Name 4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid
Molecular Mass 424.554 g·mol−1
Heat of Formation 80.9 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 516.79 Å 3
Surface Area 451.64 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-6-thiochromenyl]ethynyl]benzoic acid
  • 4-[2-[4-(4-ethylphenyl)-2,2-dimethylthiochromen-6-yl]ethynyl]benzoic acid
InChIKey LHUPKWKWYWOMSK-UHFFFAOYSA-N
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