5-(1-Propyn-1-Yl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C7H6N2O2
IUPAC Name 5-prop-1-ynylpyrimidine-2,4-dione
Molecular Mass 150.135 g·mol−1
Heat of Formation -114.0 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 171.46 Å 3
Surface Area 181.08 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-(1-propynyl)-
  • 5-prop-1-ynyl-1h-pyrimidine-2,4-dione
  • 5-prop-1-ynyluracil
  • 5-propynyluracil
  • 5-pu
CAS Number(s)
  • 134700-29-1
InChIKey UJBCLAXPPIDQEE-UHFFFAOYSA-N
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