1,3,7-Trimethyluric Acid

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Properties Simple | Detailed

Formula C8H10N4O3
IUPAC Name 1,3,7-trimethyl-9h-purine-2,6,8-trione
Molecular Mass 210.190 g·mol−1
Heat of Formation -411.2 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 229.49 Å 3
Surface Area 217.21 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3, 7-trimethyluric acid
  • 1,3,7-trimethyl-7,9-dihydro-1h-purine-2,6,8(3h)-trione
  • 1h-purine-2,6,8(3h)-trione, 7,9-dihydro-1,3, 7-trimethyl-
  • 1h-purine-2,6,8(3h)-trione, 7,9-dihydro-1,3,7-trimethyl-
  • 2,6,8-trihydroxy-1,3,7-trimethylpurine
  • 7,9-dihydro-1,3,7-trimethyl-1h-purine-2,6,8(3h)-trione
  • 8-hydroxy-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
  • 8-oxy-caffeine
  • ba 2753
  • oprea1_552811
  • sdccgmls-0007811.p002
  • trimethyl uric acid
  • uric acid, 1,3,7-trimethyl-
  • uric acid, 1,3,7-trimethyl- (6ci,7ci,8ci)
  • uric acid, 1,3,7-trimethyl- (van) (8ci)
CAS Number(s)
  • 5415-44-1
InChIKey BYXCFUMGEBZDDI-UHFFFAOYSA-N
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