5-Methoxy-8,8-Dimethyl-4-Oxo-4H,8H-Pyrano[2,3-F]Chromene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H14O6
IUPAC Name 5-methoxy-8,8-dimethyl-4-oxo-pyrano[2,3-h]chromene-2-carboxylic acid
Molecular Mass 302.279 g·mol−1
Heat of Formation -804.4 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 333.31 Å 3
Surface Area 299.79 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 4-keto-5-methoxy-8,8-dimethyl-pyrano[6,5-h]chromene-2-carboxylic acid
  • 4h,8h-benzo(1,2-b:3,4-b')dipyran-2-carboxylic acid, 5-methoxy-8,8-dimethyl-4-oxo-
  • 5-methoxy-8,8-dimethyl-4-oxo-2-pyrano[6,5-h]chromenecarboxylic acid
  • 5-methoxy-8,8-dimethyl-4-oxo-4h,8h-benzo(1,2-b:3,4-b')dipyran-2-carboxylic acid
  • 5-methoxy-8,8-dimethyl-4-oxo-pyrano[6,5-h]chromene-2-carboxylic acid
  • 5-methoxy-8,8-dimethyl-4-oxopyrano[6,5-h]chromene-2-carboxylic acid
  • perforatic acid
CAS Number(s)
  • 94736-67-1
InChIKey CYENPHRRKQQAOP-UHFFFAOYSA-N
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