4-[3-(2-Amino-4-Hydroxy-6-Oxo-1,6-Dihydro-5-Pyrimidinyl)Propyl]Benzoic Acid

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Properties Simple | Detailed

Formula C14H15N3O4+
IUPAC Name 4-[3-(2-amino-4-hydroxy-6-oxo-pyrimidin-1-ium-5-id-5-yl)propyl]benzoic acid
Molecular Mass 289.287 g·mol−1
Heat of Formation -616.8 ± 16.7 kJ·mol−1
Dipole Moment 7.57 ± 1.08 D
Volume 332.55 Å 3
Surface Area 311.11 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-(2-amino-4-hydroxy-6-keto-1h-pyrimidin-5-yl)propyl]benzoic acid
InChIKey GBBVOAWLGQEGEW-UHFFFAOYSA-N
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