Methyl 5-Phenyl-2-Propionyl-1H-Pyrrole-3-Carboxylate

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Properties Simple | Detailed

Formula C15H15NO3
IUPAC Name methyl 5-phenyl-2-propanoyl-pyrrol-1-ium-2-ylium-3-carboxylate
Molecular Mass 257.284 g·mol−1
Heat of Formation -350.2 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 306.8 Å 3
Surface Area 289.04 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1-oxopropyl)-5-phenyl-1h-pyrrole-3-carboxylic acid methyl ester
  • 5-phenyl-2-propionyl-1h-pyrrole-3-carboxylic acid methyl ester
  • methyl 5-phenyl-2-propanoyl-1h-pyrrole-3-carboxylate
CAS Number(s)
  • 93344-38-8
InChIKey BJMDCXZRQJFTJP-UHFFFAOYSA-N
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