3-(1-Benzothiophen-3-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C11H11NO2S
IUPAC Name (2s)-2-azaniumyl-3-(benzothiophen-3-yl)propanoate
Molecular Mass 221.276 g·mol−1
Heat of Formation -225.3 ± 16.7 kJ·mol−1
Dipole Moment 1.18 ± 1.08 D
Volume 255.85 Å 3
Surface Area 232.39 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
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CAS Number(s)
  • 72120-71-9
  • 1956-23-6
InChIKey GAUUPDQWKHTCAX-VIFPVBQESA-N
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