(5E,8β,11β,12Alpha)-9,15-Dioxo-11,16-Cycloprost-5-En-1-Oic Acid

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Properties Simple | Detailed

Formula C20H30O4
IUPAC Name (e)-7-[(1r,3ar,4s,7as)-4-butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1h-inden-1-yl]hept-5-enoic acid
Molecular Mass 334.450 g·mol−1
Heat of Formation -884.6 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 438.51 Å 3
Surface Area 363.3 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
InChIKey CGCZPIJMGKLVTQ-WXGPFVCYSA-N
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