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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) N (C) C) N (C) C) C) C) C) C) C (OC [C @@ H] 1 [C @@ H] (OP (N (C (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 = c4) c5 = cc = cc = c5 palca ...
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