{(1E)-4-[(2-Hydroxyphenyl)Sulfanyl]-1-Buten-1-Yl}Phosphonic Acid

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Properties Simple | Detailed

Formula C10H13O4PS
IUPAC Name [(e)-4-(2-hydroxyphenyl)sulfanylbut-1-enyl]phosphonic acid
Molecular Mass 260.247 g·mol−1
Heat of Formation -848.5 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 291.28 Å 3
Surface Area 279.69 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-hydroxyphenyl)sulfanylbut-1-enylphosphonic acid
  • 4-(2-hydroxyphenylthio)-1-butenylphosphonic acid
  • 4-[(2-hydroxyphenyl)thio]but-1-enylphosphonic acid
  • [(e)-4-(2-hydroxyphenyl)sulfanylbut-1-enyl]phosphonic acid
  • [(e)-4-[(2-hydroxyphenyl)thio]but-1-enyl]phosphonic acid
  • he1
InChIKey GHNIEXOPSISMGX-XVNBXDOJSA-N
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