5-Ethyl-5-(4-Hydroxyphenyl)Dihydro-4,6(1H,5H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C12H14N2O3
IUPAC Name 5-ethyl-5-(4-hydroxyphenyl)hexahydropyrimidine-4,6-dione
Molecular Mass 234.251 g·mol−1
Heat of Formation -458.6 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 271.12 Å 3
Surface Area 239.46 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 4,6(1h,5h)-pyrimidinedione, 5-ethyldihydro-5-(4-hydroxyphenyl)-
  • 4-hydroxyprimidone
  • 5-ethyl-5-(4-hydroxyphenyl)-1,3-diazinane-4,6-dione
  • 5-ethyl-5-(4-hydroxyphenyl)hexahydropyrimidine-4,6-quinone
  • para-hydroxyprimidone
CAS Number(s)
  • 88456-71-7
InChIKey VMOIBLYUVUAHSC-UHFFFAOYSA-N
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