5-{4-[4-(Methoxycarbonyl)Phenyl]Butyl}-2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C17H18N2O6++
IUPAC Name 5-[4-(4-methoxycarbonylphenyl)butyl]-2,6-dioxo-pyrimidin-3-ium-5-ide-4-carboxylic acid
Molecular Mass 346.335 g·mol−1
Heat of Formation -997.1 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 395.11 Å 3
Surface Area 362.25 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 1.39 ± eV
Point Group Symmetry C1
InChIKey PWNZPCSVTUHWKU-UHFFFAOYSA-N
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