(7,8-Dimethyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C14H13N4O4++
IUPAC Name 2-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10a-ylium-1-id-10-yl)acetic acid
Molecular Mass 301.277 g·mol−1
Heat of Formation -444.1 ± 16.7 kJ·mol−1
Dipole Moment 9.45 ± 1.08 D
Volume 326.75 Å 3
Surface Area 294.13 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)acetic acid
  • 2-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)acetic acid
  • 2-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)acetic acid
  • 2-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)ethanoic acid
  • 2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)acetic acid
  • 7,8-dimethyl-10-carboxymethylisoalloxazine
  • carboxymethylflavin
CAS Number(s)
  • 21079-31-2
InChIKey KDXDAXTZMKMJOW-UHFFFAOYSA-N
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