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Physical properties Key Physical Properties Value Condition Molecular Weight 528.55 - Melting Point (Experimental) 129.5-130 °C - Boiling Point (Predicted) 688.2±65.0 °C Press: 760 Torr Density (Predicted) 1.35±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 12.51±0.40 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6 Isomeric SMILES C (OC [c@h] 1o [c @@] 2 ([c@] ([c @@ h] 1o) (OC = 3N2 ... -
Airíonna Fisiciúla Príomh -Airíonna Fisiciúla Luach Meáchan Móilíneach 669.72 - Dlús (tuartha) 1.35 ± 0.1 g/cm3 Teocht: 20 ° C; Press: 760 Torr pKa (Predicted) 9.16±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3OC Smiles isomeric Smiles C (OC [c@h] 1o [c@h] ([c@h] (oc) [c @@ h] 1o) n2c3 = c (n = c2) c (= o) n = c (nc (c) c) = O) n3) (c4 = cc = c (oc) c = c4) (c5 = cc = c (OC) c = c = c = c = c = ci inc = c / cc i c = c = c (c4 in in -
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