Formula |
C31H36O11 |
IUPAC Name |
formaldehyde; 3-(2-hydroxyethynyl)-3h-isobenzofuran-1-one; 2-[3-[2-(oxomethylene)cyclopropyl]prop-1-ynyl]indane-1,3-dione |
Molecular Mass |
584.611 g·mol−1 |
Heat of Formation |
2239.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.57 ± 1.08 D |
Volume |
629.09 Å 3 |
Surface Area |
426.84 Å 2 |
HOMO Energy |
-9.10 ± 0.55 eV |
LUMO Energy |
-2.86 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZKFBCYMWVIIMGH-SGDXEAHRSA-N |
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Links |
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Elements |
C
O
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