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
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