(1R,3S)-9-Methoxy-1,3-Dimethyl-3,4-Dihydro-1H-Benzo[G]Isochromene-5,10-Dione

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Properties Simple | Detailed

Formula C16H16O4
IUPAC Name (1r,3s)-9-methoxy-1,3-dimethyl-3,4-dihydro-1h-benzo[g]isochromene-5,10-dione
Molecular Mass 272.296 g·mol−1
Heat of Formation -492.9 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 314.97 Å 3
Surface Area 279.33 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-9-methoxy-1,3-dimethyl-3,4-dihydro-1h-benzo[g]isochromene-5,10-quinone
  • 1h-naphtho(2,3-c)pyran-5,10-dione, 3,4-dihydro-1-beta,3-beta-dimethyl-9-methoxy-
  • 1h-naphtho(2,3-c)pyran-5,10-dione, 3,4-dihydro-9-methoxy-1,3-dimethyl-, (1r-cis)- (9ci)
  • 3,4-dihydro-1-beta,3-beta-dimethyl-9-methoxy-1h-naphtho(2,3-c)pyran-5,10-dione
  • eleutherin
CAS Number(s)
  • 478-36-4
InChIKey IAJIIJBMBCZPSW-DTWKUNHWSA-N
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