Methyl 6-{2-[(1E)-3-Oxo-1-Buten-1-Yl]Phenyl}Hexanoate

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Properties Simple | Detailed

Formula C17H22O3
IUPAC Name methyl 6-[2-[(e)-3-oxobut-1-enyl]phenyl]hexanoate
Molecular Mass 274.355 g·mol−1
Heat of Formation -509.4 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 365.57 Å 3
Surface Area 334.84 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey BYTVKDVESHEQOK-OUKQBFOZSA-N
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Elements H C O