- Substance Detail CAS Registry Number 2140-71-8 Key Physical Properties Value Condition Molecular Weight 297.27 - Melting Point (Experimental) 233-235 °C Solvent: Methanol Density (Predicted) 1.98±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 9.64±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OC Isomeric SMILES O (c) [c@h] 1 [c@h] (n2c3 = c (n = c2) c (= o) n = c (n) n3) o [c@h] (co) [c@h] 1o incron inci = 1S/C11H15N5O5/C1-20-7 –.
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