5-Ethynylpyrimidine-2,4-Diol

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Properties Simple | Detailed

Formula C6H4N2O2++
IUPAC Name 5-ethynylpyrimidine-2,4-dione
Molecular Mass 136.108 g·mol−1
Heat of Formation -64.9 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 153.32 Å 3
Surface Area 161.17 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-ethynyl-
  • 5-ethynyl-1h-pyrimidine-2,4-dione
  • 5-ethynyluracil
  • 5-eu
  • 776c85
  • adh-300004
  • compound 776c
  • d03998
  • eniluracil
  • eniluracil (usan)
  • gw-776
  • gw776c85
CAS Number(s)
  • 59989-18-3
InChIKey JOZGNYDSEBIJDH-UHFFFAOYSA-N
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