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- Substance Detail CAS Registry Number 163878-63-5 H302 Key Physical Properties Value Condition Molecular Weight 818.89 - pKa (Predicted) 9.55±0.10 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)N(C(C)C)C(C)C Isomeric SMILES C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (ECTOC) [C @@ H] (O1) N2C (= O) NC (= O) C (C) = C2) (C3 = CC = C (OC) C = C3) (C = c) = C (OC) C = C4) C5 = CC = CC = C5 אינץ 'אינץ' = ...
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