(9Ar)-3-Hexanoyl-9A-Methyl-6-[(1E)-1-Propen-1-Yl]-2H-Furo[3,2-G]Isochromene-2,9(9Ah)-Dione

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Properties Simple | Detailed

Formula C21H22O5
IUPAC Name (9ar)-3-hexanoyl-9a-methyl-6-[(e)-prop-1-enyl]furo[3,2-g]isochromene-2,9-dione
Molecular Mass 354.396 g·mol−1
Heat of Formation -632.3 ± 16.7 kJ·mol−1
Dipole Moment 10.63 ± 1.08 D
Volume 431.84 Å 3
Surface Area 347.64 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • (9ar)-3-caproyl-9a-methyl-6-[(e)-prop-1-enyl]furo[4,5-g]isochromene-2,9-quinone
  • (9ar)-3-hexanoyl-9a-methyl-6-[(e)-prop-1-enyl]furo[4,5-g]isochromene-2,9-dione
  • (9ar)-9a-methyl-3-(1-oxohexyl)-6-[(e)-prop-1-enyl]furo[4,5-g]isochromene-2,9-dione
  • (r-(e))-9a-methyl-3-(1-oxohexyl)-6-(1-propenyl)-2h-furo(3,2-g)(2)benzopyran-2,9(9ah)-dione
  • 2h-furo(3,2-g)(2)benzopyran-2,9(9ah)-dione, 9a-methyl-3-(1-oxohexyl)-6-(1-propenyl)-, (r-(e))-
CAS Number(s)
  • 514-67-0
InChIKey SULYDLFVUNXAMP-WKOQKXSESA-N
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