β-Dimorphecolic Acid

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Properties Simple | Detailed

Formula C18H32O3
IUPAC Name (9s,10e,12e)-9-hydroxyoctadeca-10,12-dienoic acid
Molecular Mass 296.445 g·mol−1
Heat of Formation -745.7 ± 16.7 kJ·mol−1
Dipole Moment 1.13 ± 1.08 D
Volume 423.85 Å 3
Surface Area 407.25 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (9s)-9-hydroxyoctadeca-10,12-dienoic acid
  • (9s,10e,12e)-9-hydroxyoctadeca-10,12-dienoic acid
  • (s)-
  • (s)-9-hydroxy-10-trans,12-trans-octadecadienoic acid
  • (s)-9-hydroxy-10e,12e-octadecadienoic acid
  • (s)-9-hydroxy-trans,trans-10,12-octadecadienoic acid
  • (s)-9-hydroxy-trans,trans-octadecadienoic acid
  • 10,12-octadecadienoic acid, 9-hydroxy-, [s-(e,e)]-
  • 9s-hydroxy-10e,12e-octadecadienoic acid
  • bio1_000058
  • bio1_000547
  • bio1_001036
  • bio2_000205
  • bio2_000685
  • cbiol_001772
  • lmfa01050277
InChIKey NPDSHTNEKLQQIJ-RUDINFOGSA-N
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Elements H C O