Ethyl 6-Chloro-4-Hydroxy-2-Chromanecarboxylate

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Properties Simple | Detailed

Formula C12H13ClO4
IUPAC Name ethyl (2s,4s)-6-chloro-4-hydroxy-chromane-2-carboxylate
Molecular Mass 256.682 g·mol−1
Heat of Formation -667.9 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 281.25 Å 3
Surface Area 268.46 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
InChIKey UWQQUFIYYKCZGB-ONGXEEELSA-N
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Elements H C O Cl