2-[(2R,7S,8R,8Ar)-2,7-Dihydroxy-8,8A-Dimethyl-3-Oxo-1,2,3,7,8,8A-Hexahydro-2-Naphthalenyl]Acrylaldehyde

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Properties Simple | Detailed

Formula C15H18O4
IUPAC Name 2-[(2r,7s,8r,8ar)-2,7-dihydroxy-8,8a-dimethyl-3-oxo-7,8-dihydro-1h-naphthalen-2-yl]prop-2-enal
Molecular Mass 262.301 g·mol−1
Heat of Formation -521.0 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 313.78 Å 3
Surface Area 263.22 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2r,7s,8r,8ar)-2,7-dihydroxy-3-keto-8,8a-dimethyl-7,8-dihydro-1h-naphthalen-2-yl]acrolein
  • 2-[(2r,7s,8r,8ar)-2,7-dihydroxy-8,8a-dimethyl-3-oxo-7,8-dihydro-1h-naphthalen-2-yl]prop-2-enal
  • 2-naphthaleneacetaldehyde, 1,2,3,7,8,8a-hexahydro-2,7-dihydroxy-8,8a-dimethyl-.alpha.- methylene-3-oxo-, [2r-(2.alpha.,7.alpha.,8.alpha.,8a.alpha. )]-
  • 2-naphthaleneacetaldehyde, 1,2,3,7,8,8a-hexahydro-2,7-dihydroxy-8,8a-dimethyl-alpha-methylene-3-oxo-, (2r-(2alpha,7alpha,8alpha,8aalpha))-
  • bipolaroxin
CAS Number(s)
  • 100665-30-3
InChIKey JHFQQYIKTDAADV-OBCWZRDOSA-N
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