(+)-12(S),13(R)-Vernolic Acid

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Properties Simple | Detailed

Formula C18H32O3
IUPAC Name (z)-11-[(2s,3s)-3-pentyloxiran-2-yl]undec-9-enoic acid
Molecular Mass 296.445 g·mol−1
Heat of Formation -685.6 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 429.91 Å 3
Surface Area 352.96 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
InChIKey CCPPLLJZDQAOHD-BTDPBSJTSA-N
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