(1R)-1,7,7-Trimethylbicyclo[2.2.1]Hept-2-Yl 4-Hydroxybenzoate

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Properties Simple | Detailed

Formula C17H22O3
IUPAC Name [(1r,2s,4r)-1,7,7-trimethylnorbornan-2-yl] 4-hydroxybenzoate
Molecular Mass 274.355 g·mol−1
Heat of Formation -532.4 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 346.38 Å 3
Surface Area 294.47 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxybenzoic acid [(1r,2s,4r)-1,7,7-trimethyl-2-norbornanyl] ester
  • [(1r,2s,4r)-1,7,7-trimethylnorbornan-2-yl] 4-hydroxybenzoate
  • [(1r,4r,6s)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 4-hydroxybenzoate
InChIKey WZBMPPVYPMMRNT-IFIJOSMWSA-N
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