3-(3-Carbamimidoylphenyl)-2-Oxopropanoic Acid

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Properties Simple | Detailed

Formula C10H10N2O3
IUPAC Name 3-(3-carbamimidoylphenyl)-2-oxo-propanoic acid
Molecular Mass 206.198 g·mol−1
Heat of Formation -328.5 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 241.06 Å 3
Surface Area 234.24 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-amidinophenyl)-2-keto-propionic acid
  • 3-amidinophenylpyruvic acid
  • benzenepropanoic acid, 3-(aminoiminomethyl)-alpha-oxo-
  • meta-appa
CAS Number(s)
  • 52820-78-7
InChIKey LVPXKPSHQWGTHF-UHFFFAOYSA-N
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