(2E)-3-[(2R,2'R,3S,3'S)-3'-(7-Hydroxy-1,3,5-Heptatriyn-1-Yl)-2,2'-Bioxir-3-Yl]-2-Propen-1-Yl Acetate

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name [(e)-3-[(2r,3s)-3-[(2s,3s)-3-(7-hydroxyhepta-1,3,5-triynyl)oxiran-2-yl]oxiran-2-yl]allyl] acetate
Molecular Mass 286.279 g·mol−1
Heat of Formation 100.9 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 297.56 Å 3
Surface Area 258.84 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey CVFDUGAXSFOYQC-VKUOMFCHSA-N
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Elements H C O