3-(1-Acetoxy-3-Methylbutyl)-6-(2-Formyl-6-Hydroxy-4-Methylphenoxy)-2-Methoxybenzoic Acid

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Properties Simple | Detailed

Formula C23H26O8
IUPAC Name 3-[(1s)-1-acetoxy-3-methyl-butyl]-6-(2-formyl-6-hydroxy-4-methyl-phenoxy)-2-methoxy-benzoic acid
Molecular Mass 430.448 g·mol−1
Heat of Formation -1285.6 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 514.33 Å 3
Surface Area 428.7 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
InChIKey IGGGJHYOBPGVLF-IBGZPJMESA-N
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