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Substance Detail CAS Registry Number 1262015-90-6 Key Physical Properties Value Condition Molecular Weight 411.41 - Density (Predicted) 1.460±0.06 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 8.23±0.10 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(CO)C(O)C4 Isomeric SMILES O = C1N (C = C (C (NCC = 2C3 = C (C = CC2) C = CC = CC = C3) = O) C (= O) N1) [c @@ h] 4o [c@h] (co) [c @@ h] (o) c4 inchi = 1S/C21H21N3O6/C25-16) ... -
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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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Substance Detail CAS Registry Number 2140-79-6 Key Physical Properties Value Condition Molecular Weight 281.27 - Melting Point (Experimental) 204-206 °C - Boiling Point (Predicted) 623.8±65.0 °C Press: 760 Torr Density (Predicted) 1.84±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 13.13±0.70 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O Isomeric SMILES O (c) [c@h] 1 [c@h] (n2c = 3c (n = c2) = c (n) n = cn3) o [c@h] (co) [... -
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