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-1h-pyrimidin-5-yl)propyl]benzoic acid
Molecular Mass 289.287 g·mol−1
Heat of Formation -595.7 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 332.8 Å 3
Surface Area 309.32 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.37 ± 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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