3-[(2R)-2-Acetamido-2-(Dihydroxyboryl)Ethyl]Benzoic Acid

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Properties Simple | Detailed

Formula C11H14BNO5
IUPAC Name 3-[(2r)-2-acetamido-2-borono-ethyl]benzoic acid
Molecular Mass 251.044 g·mol−1
Heat of Formation -1167.0 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 292.8 Å 3
Surface Area 268.98 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • 1(r)-1-acetamido-2-(3-carboxyphenyl)ethyl boronic acid
  • 3-[(2r)-2-acetamido-2-(dihydroxyboranyl)ethyl]benzoic acid
  • 3-[(2r)-2-acetamido-2-borono-ethyl]benzoic acid
  • 3-[(2r)-2-acetamido-2-boronoethyl]benzoic acid
  • bji
InChIKey OBZSRKUYUGJGIM-JTQLQIEISA-N
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