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沸点:
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642.0±65.0 °C(Predicted)
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密度:
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1.365±0.06 g/cm3(Predicted)
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储存条件:
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Store at -20°C
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溶解度:
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DMSO : 130 mg/mL (298.51 mM; Need ultrasonic)
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酸度系数(pKa):
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8.81±0.10(Predicted)
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InChI:
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InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)
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InChIKey:
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BWEJNHRMGZUMNU-UHFFFAOYSA-N
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SMILES:
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C1(S(NC2=CC=C(C)C=C2OC2C=CC3=C(C=2)C=CN=C3N)(=O)=O)=CC=CC=C1OC
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