2-Amino-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C9H11NO2S
IUPAC Name 2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid
Molecular Mass 197.254 g·mol−1
Heat of Formation -360.6 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 219.47 Å 3
Surface Area 207.53 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid
  • bas 00471143
  • chemdiv3_009304
  • oprea1_649176
InChIKey WYOLDVOOOYZSJM-UHFFFAOYSA-N
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