Esuprone

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Properties Simple | Detailed

Formula C13H14O5S
IUPAC Name (3,4-dimethyl-2-oxo-chromen-7-yl) ethanesulfonate
Molecular Mass 282.312 g·mol−1
Heat of Formation -772.0 ± 16.7 kJ·mol−1
Dipole Moment 8.21 ± 1.08 D
Volume 307.78 Å 3
Surface Area 287.14 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3,4-dimethyl-2-oxochromen-7-yl) ethanesulfonate
  • 7-hydroxy-3,4-dimethylcoumarin ethanesulfonate
  • esupronum [latin]
  • ethanesulfonic acid (3,4-dimethyl-2-oxo-7-chromenyl) ester
CAS Number(s)
  • 91406-11-0
InChIKey CHDGAVDQRSPBTA-UHFFFAOYSA-N
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DOI
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