5-(3-Pyridinylmethyl)-1-Benzofuran-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H11NO3
IUPAC Name 5-(3-pyridylmethyl)benzofuran-2-carboxylic acid
Molecular Mass 253.253 g·mol−1
Heat of Formation -195.5 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 292.09 Å 3
Surface Area 272.85 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-benzofurancarboxylic acid, 5-(3-pyridinylmethyl)-
  • 5-(3-pyridylmethyl)-2-benzofurancarboxylic acid
  • 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid
  • furegarelatum [latin]
  • furegrelato [spanish]
CAS Number(s)
  • 85666-24-6
InChIKey VHWFITPGPFLBGT-UHFFFAOYSA-N
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