(9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-Octadecatrienoic Acid

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Properties Simple | Detailed

Formula C18H30O4
IUPAC Name (9s,10e,12z,15z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Molecular Mass 310.428 g·mol−1
Heat of Formation -559.0 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 428.0 Å 3
Surface Area 368.17 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (9s,10e,12z,15z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
  • 10,12,15-octadecatrienoic acid 9-hydroperoxy
  • 10,12,15-octadecatrienoic acid, 9-hydroxyperoxy-, (s-(e,z,z))-
  • 9(s)-hpotre
  • 9-hydroperoxy-10,12,15-octadecatrienoic acid
  • 9s-hydroperoxy-10e,12z,15z-octadecatrienoic acid
  • hpota
  • lmfa02000018
CAS Number(s)
  • 111004-08-1
InChIKey RWKJTIHNYSIIHW-MEBVTJQTSA-N
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