Isothiazolecarboxylic Acid

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Properties Simple | Detailed

Formula C4H3NO2S
IUPAC Name isothiazole-3-carboxylic acid
Molecular Mass 129.137 g·mol−1
Heat of Formation -171.7 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 134.29 Å 3
Surface Area 142.34 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2-thiazole-3-carboxylic acid
  • 3-isothiazolecarboxylic acid
InChIKey BMPVWNJQCJQBFW-UHFFFAOYSA-N
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