3-(Propylsulfonyl)Propanoic Acid

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Properties Simple | Detailed

Formula C6H12O4S
IUPAC Name 3-propylsulfonylpropanoic acid
Molecular Mass 180.222 g·mol−1
Heat of Formation -806.0 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 208.32 Å 3
Surface Area 207.38 Å 2
HOMO Energy -10.82 ± 0.55 eV
LUMO Energy 3.67 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-propylsulfonylpropionic acid
InChIKey MVRIMOMHOJBOKT-UHFFFAOYSA-N
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Elements H C S O