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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 = c = cc = c3) [c (= o) n1) [c @ h] 4o [c @ h] (c @ h] [c @_ h] (cc) [c21h21n3o6 / c25-11-17-16 (26) 8-18 (30-17) ...
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