3-[(1E,7E)-8-(2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinyl)-3,6-Dioxa-2,7-Diazaocta-1,7-Dien-1-Yl]Benzoic Acid

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Properties Simple | Detailed

Formula C15H14N4O6++
IUPAC Name 3-[(e)-2-[(e)-(2,6-dioxo-5h-pyrimidin-3-ium-5-id-4-yl)methyleneamino]oxyethoxyiminomethyl]benzoic acid
Molecular Mass 346.295 g·mol−1
Heat of Formation -534.1 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 379.6 Å 3
Surface Area 370.49 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry C1
InChIKey TUYDQQMKXSQIQG-GONBZBRSSA-P
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