(6R)-6-[(1R,2R)-2-Chloro-1-Hydroxy-2-Phenylethyl]-5,6-Dihydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C13H13ClO3
IUPAC Name (2r)-2-[(1r,2r)-2-chloro-1-hydroxy-2-phenyl-ethyl]-2,3-dihydropyran-6-one
Molecular Mass 252.694 g·mol−1
Heat of Formation -446.1 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 284.04 Å 3
Surface Area 260.12 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey MSNHEIXAOKHXKK-RAIGVLPGSA-N
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Elements H C O Cl