Cis-Khellactone

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Properties Simple | Detailed

Formula C14H14O5
IUPAC Name (9r,10r)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
Molecular Mass 262.258 g·mol−1
Heat of Formation -777.4 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 291.36 Å 3
Surface Area 260.05 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-cis-khellactone
  • (9r,10r)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-2-one
  • pyranocoumarin deriv.
InChIKey HKXQUNNSKMWIKJ-DGCLKSJQSA-N
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