6-Ethynylpyrimidine-2,4-Diol

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Properties Simple | Detailed

Formula C6H4N2O2++
IUPAC Name 6-ethynylpyrimidine-2,4-dione
Molecular Mass 136.108 g·mol−1
Heat of Formation -61.3 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 152.89 Å 3
Surface Area 162.22 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 6-ethynyl-
  • 6-ethynyl-1h-pyrimidine-2,4-dione
  • 6-ethynyluracil
CAS Number(s)
  • 71937-27-4
InChIKey VJNBVBGICVVMBR-UHFFFAOYSA-N
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