29263-68-1 (1,4-萘二酮，6-甲氧基-,1,4-Naphthalenedione, 6-methoxy-)

快速询单

结构式：

1,4-萘二酮，6-甲氧基-MOL文件

CAS号：

29263-68-1

中文名称：

1,4-萘二酮，6-甲氧基-

英文名称：

1,4-Naphthalenedione, 6-methoxy-

分子式：

C₁₁H₈O₃

分子量：

188.179423332214

1,4-萘二酮，6-甲氧基-(29263-68-1)名称与标识符

名称

英文别名：

1,4-Naphthalenedione, 6-methoxy-;6-methoxynaphthalene-1,4-dione;29263-68-1;SCHEMBL11352811;DTXSID10498176;CHEMBL4849877;6-Methoxynaphthochinon;

标识符

InChIKey：

BIKKFRNAWPZBQE-UHFFFAOYSA-N

Inchi：

1S/C11H8O3/c1-14-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2-6H,1H3

SMILES：

O(C)C1=CC=C2C(C=CC(C2=C1)=O)=O

1,4-萘二酮，6-甲氧基-(29263-68-1)物化性质

实验特性

PSA : 43.37

计算特性

精确分子量 : 188.04734
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 : 188.047344113g/mol
重原子数量 : 14
复杂度 : 293
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） : 1.7
拓扑分子极性表面积 : 43.4Å²

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