3-(1,3-Benzoxazol-2-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C10H10N2O3
IUPAC Name (2s)-2-amino-3-(1,3-benzoxazol-2-yl)propanoic acid
Molecular Mass 206.198 g·mol−1
Heat of Formation -321.1 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 235.87 Å 3
Surface Area 224.83 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(1,3-benzoxazol-2-yl)propanoic acid
  • (2s)-2-amino-3-(1,3-benzoxazol-2-yl)propionic acid
  • 3-(2-benzoxazolyl)alanine
  • 3-boal
CAS Number(s)
  • 88549-23-9
InChIKey ACDXYPDPKDELEA-LURJTMIESA-N
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