3-(2-Phenyl-1,3-Benzothiazol-5-Yl)Propanoic Acid

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Properties Simple | Detailed

Formula C16H13NO2S
IUPAC Name 3-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid
Molecular Mass 283.345 g·mol−1
Heat of Formation -121.9 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 329.29 Å 3
Surface Area 306.33 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2-phenyl-5-benzothiazolepropionic acid
  • 3-(2-phenyl-1,3-benzothiazol-5-yl)propionic acid
  • 5-benzothiazolepropionic acid, 2-phenyl-
  • k 309
CAS Number(s)
  • 52321-54-7
InChIKey NKOLMUVZDOHNNB-UHFFFAOYSA-N
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