Aristolone

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Properties Simple | Detailed

Formula C15H22O
IUPAC Name (1ar,7r,7ar,7bs)-1,1,7,7a-tetramethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one
Molecular Mass 218.335 g·mol−1
Heat of Formation -173.2 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 293.97 Å 3
Surface Area 243.75 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-cyclopropa(a)naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aalpha,7alpha,7aalpha,7balpha)-
CAS Number(s)
  • 6831-17-0
InChIKey UGVIZCBJCSXBCJ-JWFUOXDNSA-N
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DOI
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