112117-57-4 (3-methoxychromen-2-one,3-methoxychromen-2-one)

快速询单

结构式：

3-methoxychromen-2-oneMOL文件

CAS号：

112117-57-4

中文名称：

3-methoxychromen-2-one

英文名称：

3-methoxychromen-2-one

分子式：

C₁₀H₈O₃

分子量：

176.168723106384

3-methoxychromen-2-one(112117-57-4)名称与标识符

名称

中文别名：

3-methoxychromen-2-one;

英文别名：

3-methoxychromen-2-one;DTXSID30327232;CHEMBL497593;DTXCID20278345;NCI60_012700;methoxycoumarin;SCHEMBL106241;112117-57-4;NSC638128;NSC-638128;CHEBI:140398;AKOS022060360;

标识符

InChIKey：

HQCYVSPJIOJEGA-UHFFFAOYSA-N

Inchi：

1S/C10H8O3/c1-12-9-6-7-4-2-3-5-8(7)13-10(9)11/h2-6H,1H3

SMILES：

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

3-methoxychromen-2-one(112117-57-4)物化性质

计算特性

精确分子量 : 176.047344113g/mol
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 176.047344113g/mol
重原子数量 : 13
复杂度 : 245
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） : 2.1
拓扑分子极性表面积 : 35.5Å²

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112117-57-4 (3-methoxychromen-2-one,3-methoxychromen-2-one)

3-methoxychromen-2-one(112117-57-4)名称与标识符

名称

标识符

3-methoxychromen-2-one(112117-57-4)物化性质

计算特性

3-methoxychromen-2-one(112117-57-4)相关文献

目录