3-(4-Hydroxy-3-Imino-6-Oxo-1,4-Cyclohexadien-1-Yl)Alanine

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Properties Simple | Detailed

Formula C9H10N2O4
IUPAC Name (2s)-2-amino-3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dien-1-yl)propanoic acid
Molecular Mass 210.187 g·mol−1
Heat of Formation -497.5 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 239.42 Å 3
Surface Area 224.35 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy 1.12 ± eV
Point Group Symmetry C1
InChIKey FKLZKBKFGLLJJV-HPWAZMHGSA-N
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