4-{(2R)-2-Hydroxy-4-[4-(2-Methyl-2-Propanyl)Phenyl]Butoxy}Benzoic Acid

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Properties Simple | Detailed

Formula C21H26O4
IUPAC Name 4-[(2r)-4-(4-tert-butylphenyl)-2-hydroxy-butoxy]benzoic acid
Molecular Mass 342.429 g·mol−1
Heat of Formation -685.7 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 436.35 Å 3
Surface Area 393.07 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey LNXBEIZREVRNTF-GOSISDBHSA-N
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Elements H C O