2-[(2R,4Ar,8S,8Ar)-8-Hydroxy-4A,8-Dimethyldecahydro-2-Naphthalenyl]Acrylic Acid

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Properties Simple | Detailed

Formula C15H24O3
IUPAC Name 2-[(2r,4ar,8s,8ar)-8-hydroxy-4a,8-dimethyl-decalin-2-yl]prop-2-enoic acid
Molecular Mass 252.349 g·mol−1
Heat of Formation -686.6 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 326.11 Å 3
Surface Area 273.18 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2r,4ar,8s,8ar)-8-hydroxy-4a,8-dimethyl-2-decalinyl]prop-2-enoic acid
  • 2-[(2r,4ar,8s,8ar)-8-hydroxy-4a,8-dimethyl-decalin-2-yl]acrylic acid
  • 2-[(2r,4ar,8s,8ar)-8-hydroxy-4a,8-dimethyl-decalin-2-yl]prop-2-enoic acid
  • 2-naphthaleneacetic acid, decahydro-8-hydroxy-4a,8-dimethyl-alpha-methylene-, (2r-(2alpha,4aalpha,8beta,8abeta))-
InChIKey FXKCXGBBUBCRPU-GBOPCIDUSA-N
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