5,5-Dimethyl-11-Oxo-5H,11H-Benzo[C]Pyrano[3,2-G]Chromene-9-Carboxylic Acid

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Properties Simple | Detailed

Formula C19H15O5+
IUPAC Name 5,5-dimethyl-11-oxo-isochromeno[4,3-g]chromene-9-carboxylic acid
Molecular Mass 323.319 g·mol−1
Heat of Formation -604.9 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 357.05 Å 3
Surface Area 317.5 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 11-keto-5,5-dimethyl-isochromeno[4,3-g]chromene-9-carboxylic acid
  • 5,5-dimethyl-11-oxo-5h,11h-(2)-benzopyrano(4,3-g)(1)benzopyran-9-carboxylic acid ethanolamine salt
  • 5,5-dimethyl-11-oxo-5h,11h-(2)benzopyrano(4,3-g)(1)benzopyran-9-carboxylic acid, compd. with 2-aminoethanol (1:1)
  • 5,5-dimethyl-11-oxo-9-isochromeno[4,3-g]chromenecarboxylic acid
  • 5,5-dimethyl-11-oxoisochromeno[4,3-g]chromene-9-carboxylic acid
  • pr-d 92ea
  • pr-d-92
  • pr-d-92-ea
  • prd-92 ea
CAS Number(s)
  • 52156-73-7
InChIKey AYXKVDRDWWQQTD-UHFFFAOYSA-N
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