4-(10-Oxo-4,10-Dihydrothieno[3,2-C][1]Benzoxepin-8-Yl)Butanoic Acid

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Properties Simple | Detailed

Formula C16H14O4S
IUPAC Name 4-(10-oxo-4h-thieno[3,2-c][1]benzoxepin-8-yl)butanoic acid
Molecular Mass 302.345 g·mol−1
Heat of Formation -503.2 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 339.83 Å 3
Surface Area 310.26 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(10-keto-4h-thieno[3,2-c][1]benzoxepin-8-yl)butyric acid
  • 4-(10-oxo-4h-thieno[3,2-c][1]benzoxepin-8-yl)butanoic acid
  • 4-(4,10-dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid
  • 4-dobba
CAS Number(s)
  • 88358-30-9
InChIKey BRLXUMGWALKMST-UHFFFAOYSA-N
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