5,6-Dihydro-11-Oxodibenz(B,E)Azepine-3-Acetic Acid

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Properties Simple | Detailed

Formula C16H13NO3
IUPAC Name 2-(11-oxo-5,6-dihydrobenzo[c][1]benzazepin-3-yl)acetic acid
Molecular Mass 267.279 g·mol−1
Heat of Formation -316.2 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 308.2 Å 3
Surface Area 280.2 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(11-keto-5,6-dihydrobenzo[c][2]benzazepin-3-yl)acetic acid
  • 2-(11-oxo-5,6-dihydrobenzo[c][2]benzazepin-3-yl)acetic acid
  • 2-(11-oxo-5,6-dihydrobenzo[c][2]benzazepin-3-yl)ethanoic acid
  • 5h-dibenz(b,e)azepine-3-acetic acid, 6,11-dihydro-11-oxo-
  • dodaa
CAS Number(s)
  • 78382-91-9
InChIKey ALZSRMRFHDLMGY-UHFFFAOYSA-N
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