4-Formyl-3-Hydroxy-8-Methoxy-1,9-Dimethyl-11-Oxo-11H-Dibenzo[B,E][1,4]Dioxepine-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H14O8
IUPAC Name 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid
Molecular Mass 358.299 g·mol−1
Heat of Formation -1157.1 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 373.35 Å 3
Surface Area 326.02 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-1-benzo[c][1,5]benzodioxepinecarboxylic acid
  • 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[c][1,5]benzodioxepine-1-carboxylic acid
  • 10-formyl-9-hydroxy-6-keto-3-methoxy-4,7-dimethyl-benzo[c][1,5]benzodioxepine-1-carboxylic acid
  • 11h-dibenzo(b,e)(1,4)dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1,
  • 11h-dibenzo(b,e)(1,4)dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-
  • 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxodibenzo[b,f]1,4-dioxepin-6-carboxylic acid
  • 9-hydroxy-10-methanoyl-3-methoxy-4,7-dimethyl-6-oxo-benzo[c][1,5]benzodioxepine-1-carboxylic acid
  • parellic acid
  • psoromic acid
  • psoromic acid (parellic acid)
CAS Number(s)
  • 7299-11-8
InChIKey FUCWJKJZOHOLEO-UHFFFAOYSA-N
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