1-Pyrenebutyric Acid

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Properties Simple | Detailed

Formula C20H16O2
IUPAC Name 4-pyren-1-ylbutanoic acid
Molecular Mass 288.340 g·mol−1
Heat of Formation -192.9 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 340.63 Å 3
Surface Area 300.6 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • .gamma.-(3-pyrenyl)butyric acid
  • 1-pyrenebutanoic acid
  • 1-pyrenebutyrate
  • 1-pyrenylbutyric acid
  • 4-(1-pyrenyl)butanoic acid
  • 4-(1-pyrenyl)butyric acid
  • 4-pyren-1-ylbutyric acid
  • chemdiv3_000296
  • gamma-(3-pyrenyl)butyric acid
  • jfd 01560
  • oprea1_319328
  • pyrene-1-butyric acid
  • pyrene-3-butyric acid
  • sr-01000644752-1
CAS Number(s)
  • 3443-45-6
InChIKey QXYRRCOJHNZVDJ-UHFFFAOYSA-N
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