5-[(2E)-1-Hydroxy-2-Buten-1-Yl]-4-Methoxy-6-Methyl-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C11H14O4
IUPAC Name 5-[(e,1r)-1-hydroxybut-2-enyl]-4-methoxy-6-methyl-pyran-2-one
Molecular Mass 210.226 g·mol−1
Heat of Formation -618.6 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 254.72 Å 3
Surface Area 238.3 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey XQPQKPDEDMGAPV-WTSVBCDHSA-N
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