Ethyl 3-(4-Carbamimidoylphenyl)-2-Oxopropanoate

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Formula C12H14N2O3
IUPAC Name ethyl 3-(4-carbamimidoylphenyl)-2-oxo-propanoate
Molecular Mass 234.251 g·mol−1
Heat of Formation -351.1 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 286.14 Å 3
Surface Area 272.94 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-amidinophenyl)-2-keto-propionic acid ethyl ester
  • 3-(4-carbamimidoylphenyl)-2-oxopropanoic acid ethyl ester
  • 4-amidinophenylpyruvic acid ethyl ester
  • 4-appa ethyl ester
  • benzenepropanoic acid, 4-(aminoiminomethyl)-alpha-oxo-, ethyl ester
  • ethyl 4-amidinophenylpyruvate
CAS Number(s)
  • 53032-95-4
InChIKey FKDMTKNGKZHNAL-UHFFFAOYSA-N
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