6-(1-Pyrenyl)Hexanoic Acid

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Properties Simple | Detailed

Formula C22H20O2
IUPAC Name 6-pyren-1-ylhexanoic acid
Molecular Mass 316.393 g·mol−1
Heat of Formation -233.2 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 386.59 Å 3
Surface Area 349.0 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1-pyrenehexanoic acid
  • 6-pyrenylhexanoic acid
CAS Number(s)
  • 90936-85-9
InChIKey NIFCSIAVYVXOTG-UHFFFAOYSA-N
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Elements H C O