92681-38-4 ((1,3,6-Pyrenetrisulfonic acid)

快速询单

结构式：

1,3,6-Pyrenetrisulfonic acidMOL文件

CAS号：

92681-38-4

英文名称：

1,3,6-Pyrenetrisulfonic acid

分子式：

C₁₆H₁₀O₉S₃

分子量：

442.440201282501

1,3,6-Pyrenetrisulfonic acid(92681-38-4)名称与标识符

名称

英文别名：

1,3,6-Pyrenetrisulfonic acid;pyrene-1,3,6-trisulfonic acid;92681-38-4;SCHEMBL3822788;DTXSID00474944;

标识符

InChIKey：

DULBQOZFLSFGJE-UHFFFAOYSA-N

Inchi：

1S/C16H10O9S3/c17-26(18,19)12-6-2-8-1-3-10-13(27(20,21)22)7-14(28(23,24)25)11-5-4-9(12)15(8)16(10)11/h1-7H,(H,17,18,19)(H,20,21,22)(H,23,24,25)

SMILES：

S(C1C=C(C2=CC=C3C=CC(=C4C=CC=1C2=C43)S(=O)(=O)O)S(=O)(=O)O)(=O)(=O)O

1,3,6-Pyrenetrisulfonic acid(92681-38-4)物化性质

计算特性

精确分子量 : 441.94869541g/mol
氢键供体数量 : 3
氢键受体数量 : 9
可旋转化学键数量 : 3
同位素质量 : 441.94869541g/mol
重原子数量 : 28
复杂度 : 939
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.3
拓扑分子极性表面积 : 188Å²

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92681-38-4 ((1,3,6-Pyrenetrisulfonic acid)

1,3,6-Pyrenetrisulfonic acid(92681-38-4)名称与标识符

名称

标识符

1,3,6-Pyrenetrisulfonic acid(92681-38-4)物化性质

计算特性

1,3,6-Pyrenetrisulfonic acid(92681-38-4)相关文献

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