5-Ethyl-5-(3-Hydroxyphenyl)-2,4,6(1H,3H,5H)-Pyrimidinetrione

Molecule SVG Image

Properties Simple | Detailed

Formula C12H12N2O4
IUPAC Name 5-ethyl-5-(3-hydroxyphenyl)hexahydropyrimidine-2,4,6-trione
Molecular Mass 248.235 g·mol−1
Heat of Formation -654.5 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 279.05 Å 3
Surface Area 247.02 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-ethyl-5-(3-hydroxyphenyl)-
  • 3-hydroxyphenobarbital
  • 5-ethyl-5-(3-hydroxyphenyl)-1,3-diazinane-2,4,6-trione
  • 5-ethyl-5-(3-hydroxyphenyl)barbituric acid
  • 5-ethyl-5-(3-hydroxyphenyl)pyrimidine-2,4,6(1h,3h,5h)-trione
  • barbituric acid,5-ethyl,5-(3-hydroxyphenyl)
  • meta-hydroxyphenobarbital
CAS Number(s)
  • 427-17-8
InChIKey XZXIQAVQTAJHPV-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N