65216-93-5 (3-乙氧基-2H-色烯-2-酮,3-ethoxy-2H-chromen-2-one)

快速询单

结构式：

3-乙氧基-2H-色烯-2-酮MOL文件

CAS号：

65216-93-5

中文名称：

3-乙氧基-2H-色烯-2-酮

英文名称：

3-ethoxy-2H-chromen-2-one

分子式：

C₁₁H₁₀O₃

分子量：

190.195303440094

3-乙氧基-2H-色烯-2-酮(65216-93-5)名称与标识符

名称

英文别名：

3-ethoxy-2H-chromen-2-one;ethoxycoumarin;3-ethoxychromen-2-one;3-Ethoxy-1-benzopyran-2-one;DTXSID70215523;65216-93-5;SCHEMBL210314;

标识符

InChIKey：

PPGXDBJURPEKDZ-UHFFFAOYSA-N

Inchi：

1S/C11H10O3/c1-2-13-10-7-8-5-3-4-6-9(8)14-11(10)12/h3-7H,2H2,1H3

SMILES：

O1C(C(=CC2C=CC=CC1=2)OCC)=O

3-乙氧基-2H-色烯-2-酮(65216-93-5)物化性质

实验特性

PSA : 35.53

计算特性

精确分子量 : 190.063
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 2
同位素质量 : 190.062994177g/mol
重原子数量 : 14
复杂度 : 257
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） : 2.5
拓扑分子极性表面积 : 35.5Å²

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