(2S)-2-Acetamido-3-[4-(4-Hydroxy-3,5-Dinitro-Phenoxy)Phenyl]Propanoic Acid

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Properties Simple | Detailed

Formula C17H15N3O9
IUPAC Name (2s)-2-acetamido-3-[4-(4-hydroxy-3,5-dinitro-phenoxy)phenyl]propanoic acid
Molecular Mass 405.316 g·mol−1
Heat of Formation -764.9 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 433.46 Å 3
Surface Area 359.45 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
InChIKey NPUZSKMDUOIQCA-ZDUSSCGKSA-N
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