(2S)-Chloro[(2R)-5-Oxo-2,5-Dihydro-2-Furanyl]Acetic Acid

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Properties Simple | Detailed

Formula C6H5ClO4
IUPAC Name (2s)-2-chloro-2-[(2r)-5-oxo-2h-furan-2-yl]acetic acid
Molecular Mass 176.554 g·mol−1
Heat of Formation -647.3 ± 16.7 kJ·mol−1
Dipole Moment 5.81 ± 1.08 D
Volume 176.84 Å 3
Surface Area 173.53 Å 2
HOMO Energy -11.19 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey KGCZGOVWTWDEQD-WUJLRWPWSA-N
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Elements H C O Cl