4-(2,6-Dioxo-1,3-Dipropyl-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Benzoic Acid

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Formula C18H24N4O4
IUPAC Name 4-(2,6-dioxo-1,3-dipropyl-7h-purine-4,5,8,9-tetraid-8-yl)benzoic acid
Molecular Mass 360.408 g·mol−1
Heat of Formation -554.6 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 414.62 Å 3
Surface Area 373.78 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2,6-diketo-1,3-dipropyl-7h-purin-8-yl)benzoic acid
  • 4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)benzoic acid
  • benzoic acid, 4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1h-purin-8-yl)-
  • bw 1433u
  • bw a-1433u
  • bw a1433u
CAS Number(s)
  • 94781-78-9
InChIKey DNQSBNFCLWHHHQ-UHFFFAOYSA-N
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