(3R,4Ar,10Br)-3-Hydroxy-2,2-Dimethyl-3,4,4A,10B-Tetrahydro-2H-Benzo[H]Chromen-6(5H)-One

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Formula C15H18O3
IUPAC Name (3r,4ar,10br)-3-hydroxy-2,2-dimethyl-4,4a,5,10b-tetrahydro-3h-benzo[h]chromen-6-one
Molecular Mass 246.302 g·mol−1
Heat of Formation -508.2 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 297.68 Å 3
Surface Area 256.22 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4ar,10br)-3-hydroxy-2,2-dimethyl-4,4a,5,10b-tetrahydro-3h-benzo[h]chromen-6-one
CAS Number(s)
  • 102828-05-7
InChIKey BXZMLPWGVQRDDD-CUOATXAZSA-N
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