Methyl (3E,3Ar,4Ar,6R,7R,7Ar,9Ar,9Br)-3-Ethylidene-6-Hydroxy-2-Oxo-3,3A,6,7,7A,9B-Hexahydro-2H,4Ah-1,4,5-Trioxadicyclopenta[A,Hi]Indene-7-Carboxylate

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Formula C15H16O7
IUPAC Name methyl (3e,3ar,4ar,6r,7r,7ar,9ar,9br)-3-ethylidene-6-hydroxy-2-oxo-3,3a,6,7,7a,9b-hexahydro-2h,4ah-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate
Molecular Mass 308.283 g·mol−1
Heat of Formation -1086.6 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 333.75 Å 3
Surface Area 292.65 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 2h,6h-1,4,5-trioxadicyclopent(a,hi)indene-7-carboxylic acid, 3-ethylidene-3,3a,4a,7,7a,9b-hexahydro-6-hydroxy-2-oxo-, methyl ester, (3e,3aalpha,4abeta,6beta,7alpha,7abeta,9ar*,9bbeta)-
InChIKey UEOKCUGZTJHPBW-FNIPEDCFSA-N
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