2-Methylbenzyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C8H10O4S
IUPAC Name o-tolylmethyl hydrogen sulfate
Molecular Mass 202.228 g·mol−1
Heat of Formation -643.0 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 220.35 Å 3
Surface Area 212.46 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2-methylbenzyl) hydrogen sulfate
  • (2-methylphenyl)methyl hydrogen sulfate
  • 2-methylbenzylsulfate
  • benzenemethanol, 2-methyl-, hydrogen sulfate
  • o-methylbenzylsulfate
  • ortho-methylbenzyl sulfate
CAS Number(s)
  • 76773-80-3
InChIKey AUKMJEJKSWPQNL-UHFFFAOYSA-N
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