(2S)-2-Amino-4-(2-Formamidophenyl)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C11H12N2O4
IUPAC Name (2s)-2-amino-4-(2-formamidophenyl)-4-oxo-butanoic acid
Molecular Mass 236.224 g·mol−1
Heat of Formation -610.5 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 267.09 Å 3
Surface Area 252.46 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-(2-formamidophenyl)-4-keto-butyric acid
  • (2s)-2-amino-4-(2-formamidophenyl)-4-oxo-butanoic acid
  • 3-(2-formamidobenzoyl)-l-alanine
  • n'-formylkynurenine
InChIKey BYHJHXPTQMMKCA-QMMMGPOBSA-N
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