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9-Methyluric Acid
[CAS# 55441-71-9]

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Identification
Name 9-Methyluric Acid
Synonyms 9-Methyluric Acid; 9-Methyl-2,6,8-Trihydroxypurine; St5298952
Molecular Structure CAS#: 55441-71-9, 9-Methyluric Acid
Molecular Formula C6H6N4O3
Molecular Weight 182.14
CAS Registry Number 55441-71-9
EINECS 259-641-1
SMILES CN1C2=C(NC1=O)C(NC(N2)=O)=O
InChI 1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)
InChIKey XJEJWDFDVPDMAS-UHFFFAOYSA-N
Properties
Density 1.734g/cm3 (Cal.)
References
(1) Paragi Gábor, Kovács Lajos, Kupihár Zoltán, Szolomájer János, Penke Botond, Fonseca Guerra Célia, Bickelhaupt F. Matthias. Neutral and positively charged new purine tetramer structures: a computational study of xanthine and uric acid derivatives, New Journal of Chemistry, 2011
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