Alloxan

Molecule SVG Image

Properties Simple | Detailed

Formula C4H2N2O4
IUPAC Name hexahydropyrimidine-2,4,5,6-tetrone
Molecular Mass 142.070 g·mol−1
Heat of Formation -566.5 ± 16.7 kJ·mol−1
Dipole Moment 1.46 ± 1.08 D
Volume 137.2 Å 3
Surface Area 145.29 Å 2
HOMO Energy -10.89 ± 0.55 eV
LUMO Energy -2.11 ± eV
Point Group Symmetry C2v
Synonyms
  • 1,3-diazinane-2,4,5,6-tetrone
  • 2,4,5,6(1h,3h) pyrimidinetetrone
  • 2,4,5,6(1h,3h)-pyrimidinetetrone
  • 2,4,5,6-pyrimidintetron
  • 2,4,5,6-tetraoxohexahydropyrimidine
  • 2244-11-3 (monohydrate)
  • alloxan 7169
  • alloxane
  • barbituric acid, 5-oxo-
  • mesoxalylcarbamide
  • mesoxalylurea
  • pyrimidine-2,4,5,6(1h,3h)-tetrone
  • urea, mesoxalyl-
CAS Number(s)
  • 50-71-5
InChIKey HIMXGTXNXJYFGB-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N