3-Phenyl-6-Bromomethylenetetrahydropyran-2-One

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Properties Simple | Detailed

Formula C12H11BrO2
IUPAC Name (3r,6z)-6-(bromomethylene)-3-phenyl-tetrahydropyran-2-one
Molecular Mass 267.119 g·mol−1
Heat of Formation -172.6 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 258.71 Å 3
Surface Area 244.31 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
InChIKey MLLMZYDZKVEZEP-HIJJYWJESA-N
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Elements H C O Br