5-Hydroxymethyl-1-[2-(4-Hydroxyphenyl)-Ethyl]-1H-Pyrrole-2-Carbaldehyde

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Properties Simple | Detailed

Formula C14H15NO3
IUPAC Name 5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
Molecular Mass 245.274 g·mol−1
Heat of Formation -321.3 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 302.9 Å 3
Surface Area 272.6 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-(4-hydroxyphenyl)ethyl]-5-methylol-pyrrole-2-carbaldehyde
  • 1h-pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]-
  • 5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]-1h-pyrrole-2-carbaldehyde
  • 5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-pyrrolecarboxaldehyde
  • 5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
  • 5-hydroxymethyl-1-[2-(4-hydroxy-phenyl)-ethyl]-1h-pyrrole-2-carbaldehyde
  • pyrrolezanthine
InChIKey KPSZYAMCIRWUTK-UHFFFAOYSA-N
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