(4Ar,8As)-2-Methoxy-6,8A-Dimethyl-4A,5,8,8A-Tetrahydro-1,4-Naphthalenedione

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Properties Simple | Detailed

Formula C13H16O3
IUPAC Name (4ar,8as)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4ah-naphthalene-1,4-dione
Molecular Mass 220.264 g·mol−1
Heat of Formation -417.1 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 269.62 Å 3
Surface Area 237.3 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,8as)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4ah-naphthalene-1,4-quinone
CAS Number(s)
  • 6630-44-0
InChIKey WPVWCISWXIIUIV-ZANVPECISA-N
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