4-{(2S)-2-Hydroxy-3-[4-(2-Methyl-2-Propanyl)Phenoxy]Propoxy}Benzoic Acid

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Properties Simple | Detailed

Formula C20H24O5
IUPAC Name 4-[(2s)-3-(4-tert-butylphenoxy)-2-hydroxy-propoxy]benzoic acid
Molecular Mass 344.402 g·mol−1
Heat of Formation -800.9 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 430.68 Å 3
Surface Area 360.89 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey PXODZCMXOZRVEN-MRXNPFEDSA-N
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Elements H C O