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- Substance Detail CAS Registry Number 159414-99-0 Key Physical Properties Value Condition Molecular Weight 789.83 - pKa (Predicted) 10.11±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = CC (= NC5 = O) NC (= O) C) N (C (C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C (C) C) C (C) C) C (C) C) C (C) C) C) c (c) c) c) C (oc [c @@ h] 1 [c @@ h] (op (n (c) c) c (c) c) occc#n) [c @@ h] (f) [c @@ h] (o1) n2c (= o) n = c (nc (c) = o) c = c2) (c3 = cc = c (oc) c = c3) (c4 = cc = cc = c) (OC) C = C4) C5 = CC = CC = C5 hüvelyk hüvelyk ...
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