5-Fluoro-2,6-Dioxohexahydro-4-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C5H5FN2O4
IUPAC Name (4r,5r)-5-fluoro-2,6-dioxo-hexahydropyrimidine-4-carboxylic acid
Molecular Mass 176.103 g·mol−1
Heat of Formation -881.5 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 173.94 Å 3
Surface Area 173.36 Å 2
HOMO Energy -10.84 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey KYPUTJBHYWWLKK-NCGGTJAESA-N
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