Modiolide B

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Properties Simple | Detailed

Formula C10H14O3
IUPAC Name (2r,5e,7r,8z)-7-hydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one
Molecular Mass 182.216 g·mol−1
Heat of Formation -483.7 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 224.08 Å 3
Surface Area 203.44 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
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InChIKey DNUDFISZTSNQPJ-ZWPSSFCZSA-N
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