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Substance Detail CAS Registry Number 110764-79-9 H335, H331, H319, H315, H311, H301+H311+H331, H301 Key Physical Properties Value Condition Molecular Weight 760.81 - pKa (Predicted) 9.39±0.10 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N # CCCOP (OC1C (OC (N2C = CC (=) NC2 = 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 (c (c) (o) c = c) (c. -
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Substance Detail CAS Registry Number 110782-31-5 H335, H331, H319, H315, H311, H301+H311+H331, H301 Key Physical Properties Value Condition Molecular Weight 887.96 - pKa (Predicted) 7.87±0.43 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N # CCCOP (OC1C (OC (N2C = NC = 3C = CC3) NC (CCID) C) C (C) C) C (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](OC)[C@@H](O1)N2C=3C(N=C2)=C(NC(=...
