(1R,3R)-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,3r)-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 -501.6 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 316.16 Å 3
Surface Area 279.82 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 1.45 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r)-9-methoxy-1,3-dimethyl-3,4-dihydro-1h-benzo[g]isochromene-5,10-quinone
InChIKey IAJIIJBMBCZPSW-RKDXNWHRSA-N
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Elements H C O