(9Z,11E,13S)-13-Hydroperoxy-9,11-Octadecadienoic Acid

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Properties Simple | Detailed

Formula C18H32O4
IUPAC Name (9e,11e,13s)-13-hydroperoxyoctadeca-9,11-dienoic acid
Molecular Mass 312.444 g·mol−1
Heat of Formation -654.3 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 437.74 Å 3
Surface Area 419.58 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
InChIKey JDSRHVWSAMTSSN-WHLLTAFYSA-N
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