7-[4-(2-Hydroxyphenyl)-2,2-Dimethyl-1,3-Dioxan-5-Yl]-2-Heptenoic Acid

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Properties Simple | Detailed

Formula C19H26O5
IUPAC Name (e)-7-[(4s,5s)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-2-enoic acid
Molecular Mass 334.407 g·mol−1
Heat of Formation -926.7 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 421.35 Å 3
Surface Area 377.1 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey RIBMCFCWGDFQBL-HAEFYBIUSA-N
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