4-Hydroxyphenobarbital

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Properties Simple | Detailed

Formula C12H12N2O4
IUPAC Name 5-ethyl-5-(4-hydroxyphenyl)hexahydropyrimidine-2,4,6-trione
Molecular Mass 248.235 g·mol−1
Heat of Formation -655.9 ± 16.7 kJ·mol−1
Dipole Moment 1.06 ± 1.08 D
Volume 278.89 Å 3
Surface Area 247.02 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-ethyl-5-(4-hydroxyphenyl)-
  • 5-ethyl-5-(4'-hydroxyphenyl)barbituric acid monohydrate
  • 5-ethyl-5-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione
  • 5-ethyl-5-(4-hydroxyphenyl)-2,4,6(1h,3h,5h)-pyrimidinetrione
  • 5-ethyl-5-(4-hydroxyphenyl)barbituric acid
  • 5-ethyl-5-(p-hydroxyphenyl)barbituric acid
  • hydroxyphenobarbitone,p-
  • p-hydroxyphenobarbital
CAS Number(s)
  • 379-34-0
InChIKey IEPXMKJNWPXDBP-UHFFFAOYSA-N
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