1-Propynyl 4-Methylbenzenesulfonate

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Properties Simple | Detailed

Formula C10H10O3S
IUPAC Name prop-1-ynyl 4-methylbenzenesulfonate
Molecular Mass 210.250 g·mol−1
Heat of Formation -183.6 ± 16.7 kJ·mol−1
Dipole Moment 6.70 ± 1.08 D
Volume 241.91 Å 3
Surface Area 230.38 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methylbenzenesulfonic acid prop-1-ynyl ester
InChIKey FXXOTIUPVOHDQK-UHFFFAOYSA-N
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