668-10-0 (阿米醇,7-(hydroxymethyl)-4,9-dimethoxy-5H-furo[3,2-g]chromen-5-one)

快速询单

结构式：

阿米醇MOL文件

CAS号：

668-10-0

中文名称：

阿米醇

英文名称：

7-(hydroxymethyl)-4,9-dimethoxy-5H-furo[3,2-g]chromen-5-one

分子式：

C₁₄H₁₂O₆

分子量：

276.241484642029

植物源：

牙签芹

阿米醇(668-10-0)名称与标识符

名称

中文别名：

阿米醇;

英文别名：

7-(hydroxymethyl)-4,9-dimethoxy-5H-furo[3,2-g]chromen-5-one;5H-Furo(3,2-g)(1)benzopyran-5-one, 7-(hydroxymethyl)-4,9-dimethoxy-;5H-Furo[3,2-g][1]benzopyran-5-one, 7-(hydroxymethyl)-4,9-dimethoxy-;7-(Hydroxymethyl)-4,9-dimethoxy-5H-furo(3,2-g)(1)benzopyran-5-one;Ammiol;7-(hydroxymethyl)-4,9-dimethoxyfuro[3,2-g]chromen-5-one;Q4747251;7-(Hydroxymethyl)-4,9-dimethoxy-5H-furo[3,2-g]chromen-5-one #;6R2E7CX8FG;668-10-0;DTXSID10216918;DTXCID40139409;XSKZZVYURGCOGM-UHFFFAOYSA-N;UNII-6R2E7CX8FG;SCHEMBL10885786;

标识符

InChIKey：

XSKZZVYURGCOGM-UHFFFAOYSA-N

Inchi：

1S/C14H12O6/c1-17-11-8-3-4-19-12(8)14(18-2)13-10(11)9(16)5-7(6-15)20-13/h3-5,15H,6H2,1-2H3

SMILES：

O1C(CO)=CC(C2C(=C3C=COC3=C(C1=2)OC)OC)=O

阿米醇(668-10-0)物化性质

实验特性

PSA : 78.13

计算特性

精确分子量 : 276.06336
氢键供体数量 : 1
氢键受体数量 : 6
可旋转化学键数量 : 3
同位素质量 : 276.06338810g/mol
重原子数量 : 20
复杂度 : 420
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
拓扑分子极性表面积 : 78.1Å²

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