6,11-Dihydro-11-Oxo-Dibenz[B,E]Oxepin-3-Acetic Acid

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Properties Simple | Detailed

Formula C16H12O4
IUPAC Name 2-(11-oxo-6h-benzo[c][1]benzoxepin-3-yl)acetic acid
Molecular Mass 268.264 g·mol−1
Heat of Formation -483.6 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 303.62 Å 3
Surface Area 278.04 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(11-keto-6h-benzo[c][2]benzoxepin-3-yl)acetic acid
  • 2-(11-oxo-6h-benzo[c][2]benzoxepin-3-yl)ethanoic acid
  • 6,11-dihydro-11-oxo-dibenz(b,e)oxepin-3-acetic acid
  • 6,11-dihydro-11-oxodibenz(b,e)oxepin-3-acetic acid
  • dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo-
  • oxepinac
  • oxepinaco [spanish]
CAS Number(s)
  • 55689-65-1
InChIKey PYIHCGFQQSKYBO-UHFFFAOYSA-N
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