(5E,8Z,10Z,12S)-12-Hydroperoxy-5,8,10-Heptadecatrienoic Acid

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Properties Simple | Detailed

Formula C17H28O4
IUPAC Name (5e,8z,10z,12s)-12-hydroperoxyheptadeca-5,8,10-trienoic acid
Molecular Mass 296.402 g·mol−1
Heat of Formation -541.2 ± 16.7 kJ·mol−1
Dipole Moment 0.96 ± 1.08 D
Volume 402.27 Å 3
Surface Area 321.59 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (5e,8z,10z,12s)-12-hydroperoxyheptadeca-5,8,10-trienoic acid
  • 12-hydroperoxy-5,8,10-heptadecatrienoic acid
  • 5,8,10-heptadecatrienoic acid, 12-hydroperoxy-, (s-(e,z,z))-
CAS Number(s)
  • 73151-68-5
InChIKey HDXAVWKLEJQDAL-NDPVGCPXSA-N
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