(3S)-3-(4-{[4'-(Trifluoromethyl)-3-Biphenylyl]Methoxy}Phenyl)-4-Hexynoic Acid

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Properties Simple | Detailed

Formula C26H21F3O3
IUPAC Name (3s)-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
Molecular Mass 438.438 g·mol−1
Heat of Formation -758.8 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 508.91 Å 3
Surface Area 461.82 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
InChIKey ZOPNBMMVVZRSGH-NRFANRHFSA-N
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