1-Pyrenylmethyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C17H12O4S
IUPAC Name pyren-1-ylmethyl hydrogen sulfate
Molecular Mass 312.340 g·mol−1
Heat of Formation -432.7 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 332.47 Å 3
Surface Area 299.1 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxymethylpyrene sulfate
  • 1-sulfooxymethylpyrene
InChIKey JEHJDOIFMGNIQI-UHFFFAOYSA-N
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