Firocoxib

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Properties Simple | Detailed

Formula C17H20O5S
IUPAC Name 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
Molecular Mass 336.403 g·mol−1
Heat of Formation -651.5 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 395.24 Å 3
Surface Area 322.84 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2(5h)-furanone, 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-
  • 3-(cyclopropylmethoxy)-4-(4-mesylphenyl)-5,5-dimethyl-furan-2-one
  • 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)furan-2(5h)-one
  • 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-furanone
  • d03712
  • equioxx
  • firocoxib (usan)
  • ml-1,785,713
CAS Number(s)
  • 189954-96-9
InChIKey FULAPETWGIGNMT-UHFFFAOYSA-N
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