2,4(1H,3H)-Pyrimidinedione, 5-Amino-6-Hydroxy-1-(Phenylmethyl)-

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Properties Simple | Detailed

Formula C11H11N3O3
IUPAC Name 5-azaniumyl-3-benzyl-2,6-dioxo-pyrimidin-4-olate
Molecular Mass 233.223 g·mol−1
Heat of Formation -394.0 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 259.91 Å 3
Surface Area 240.79 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
InChIKey HTIBHRPLOZXHDY-UHFFFAOYSA-P
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