6-(2,6-Dihydroxy-3-Isobutyryl-4-Methoxy-5-Methylbenzyl)-3,5-Dihydroxy-2-Isobutyryl-4,6-Dimethyl-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C25H12O8
IUPAC Name 2-ethynyl-7-methylene-5-[[6-methylene-5,7-dioxo-4-(oxomethylene)-7ah-isobenzofuran-1-ylidene]methylene]benzofuran-3,4,6-trione; prop-1-yne
Molecular Mass 440.358 g·mol−1
Heat of Formation 1644.5 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 485.19 Å 3
Surface Area 437.22 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
InChIKey WJMWQOAVNBMCKR-VWLOTQADSA-N
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