(3R)-7-Butyl-6,8-Dihydroxy-3-[(3E)-3-Penten-1-Yl]-3,4-Dihydro-1H-Isochromen-1-One

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Properties Simple | Detailed

Formula C18H24O4
IUPAC Name (3r)-7-butyl-6,8-dihydroxy-3-[(e)-pent-3-enyl]isochroman-1-one
Molecular Mass 304.381 g·mol−1
Heat of Formation -776.6 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 380.45 Å 3
Surface Area 341.4 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-7-butyl-6,8-dihydroxy-3-[(e)-pent-3-enyl]-1-isochromanone
  • (3r)-7-butyl-6,8-dihydroxy-3-[(e)-pent-3-enyl]isochroman-1-one
InChIKey RNIKQZXKWIZFHL-MASHWEEQSA-N
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Elements H C O