Benfuresate

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Properties Simple | Detailed

Formula C12H16O4S
IUPAC Name (3,3-dimethyl-2h-benzofuran-5-yl) ethanesulfonate
Molecular Mass 256.318 g·mol−1
Heat of Formation -655.8 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 295.76 Å 3
Surface Area 269.85 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 3.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3,3-dimethyl-2h-1-benzofuran-5-yl) ethanesulfonate
  • (3,3-dimethyl-2h-benzofuran-5-yl) ethanesulfonate
  • 2,3-dihydro-3,3-dimethyl-5-benzofurylethanesulphonate
  • cyperal
  • ethanesulfonic acid (3,3-dimethyl-2h-benzofuran-5-yl) ester
  • ethanesulfonic acid, 2,3-dihydro-3,3-dimethyl-5-benzofuranyl ester
  • nc 20484
CAS Number(s)
  • 68505-69-1
InChIKey QGQSRQPXXMTJCM-UHFFFAOYSA-N
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