9-Carboxymethoxymethylguanine

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Properties Simple | Detailed

Formula C8H9N5O4
IUPAC Name 2-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]acetic acid
Molecular Mass 239.188 g·mol−1
Heat of Formation -421.6 ± 16.7 kJ·mol−1
Dipole Moment 12.65 ± 1.08 D
Volume 250.85 Å 3
Surface Area 232.25 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2-amino-6-keto-3h-purin-9-yl)methoxy]acetic acid
  • 2-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]acetic acid
  • 2-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]ethanoic acid
  • acetic acid, ((2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methoxy)-
  • cmmg
CAS Number(s)
  • 80685-22-9
InChIKey MICNQLKUSOVNNG-UHFFFAOYSA-N
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