4-Hydroxybutyl Methanesulfonate

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Properties Simple | Detailed

Formula C5H12O4S
IUPAC Name 4-hydroxybutyl methanesulfonate
Molecular Mass 168.211 g·mol−1
Heat of Formation -778.6 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 192.49 Å 3
Surface Area 200.43 Å 2
HOMO Energy -10.72 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,4-butanediol, monomethanesulfonate
  • 4-methanesulfonyloxybutanol
  • methanesulfonic acid 4-hydroxybutyl ester
CAS Number(s)
  • 42729-95-3
InChIKey GGASLDTWAZHIGF-UHFFFAOYSA-N
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