(9R)-8,8-Dimethyl-2-Oxo-9,10-Dihydro-2H,8H-Pyrano[2,3-F]Chromen-9-Yl (2Z)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C19H20O5
IUPAC Name [(9r)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (z)-2-methylbut-2-enoate
Molecular Mass 328.359 g·mol−1
Heat of Formation -767.9 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 386.72 Å 3
Surface Area 334.49 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(9r)-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester
  • (z)-2-methylbut-2-enoic acid [(9r)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester
  • [(9r)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] (z)-2-methylbut-2-enoate
  • sdccgmls-0066791.p001
InChIKey RRHCDWLSHIIIIT-NVWZYQMFSA-N
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