6,8-Di-Tert-Butyl-4-Oxo-4H-Chromene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H22O4
IUPAC Name 6,8-ditert-butyl-4-oxo-chromene-2-carboxylic acid
Molecular Mass 302.365 g·mol−1
Heat of Formation -676.6 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 375.4 Å 3
Surface Area 318.12 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry Cs
Synonyms
  • 6,8-di-t-butyl-4-oxo-4h-1-benzopyran-2-carboxylic acid
  • 6,8-di-tert-butyl-4-oxo-4h-1-benzopyran-2-carboxylic acid
  • 6,8-ditert-butyl-4-keto-chromene-2-carboxylic acid
  • 6,8-ditert-butyl-4-oxo-2-chromenecarboxylic acid
  • 6,8-ditert-butyl-4-oxochromene-2-carboxylic acid
  • btb 10109
  • fpl-52791
  • sr-01000637119-1
  • terbucromil [ban:inn]
CAS Number(s)
  • 37456-21-6
InChIKey CJTURQGHQPDNDA-UHFFFAOYSA-N
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Elements H C O