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Properties Simple | Detailed

Formula C21H16N2O5S
IUPAC Name 2-hydroxy-5-[2-[4-[(3-methyl-2-pyridyl)sulfamoyl]phenyl]ethynyl]benzoic acid
Molecular Mass 408.427 g·mol−1
Heat of Formation -396.3 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 450.33 Å 3
Surface Area 405.41 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-5-[2-[4-[(3-methylpyridin-2-yl)sulfamoyl]phenyl]ethynyl]benzoic acid
CAS Number(s)
  • 149556-49-0
InChIKey WJLQPSZXCOYTHS-UHFFFAOYSA-N
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DOI
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