(2R,3R)-4-Hydroxy-2,3-Bis(4-Hydroxy-3-Methoxybenzyl)Butyl (2E)-3-(4-Hydroxy-3-Methoxyphenyl)Acrylate

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Properties Simple | Detailed

Formula C30H34O9
IUPAC Name formaldehyde; 3-(2-hydroxyethynyl)-4-[4-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-yl)-2-(oxomethylene)but-1-en-3-ynylidene]benzofuran-7-one; molecular oxygen
Molecular Mass 538.586 g·mol−1
Heat of Formation -1329.6 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 641.7 Å 3
Surface Area 512.42 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey YXLRFCDMMBITIW-ZDRWSHPDSA-N
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Elements H C O