37761-63-0 (2,3,4,9-四氢-1H-黄原-1-酮,2,3,4,9-Tetrahydro-1H-xanthen-1-one)

快速询单

结构式：

2,3,4,9-四氢-1H-黄原-1-酮MOL文件

CAS号：

37761-63-0

中文名称：

2,3,4,9-四氢-1H-黄原-1-酮

英文名称：

2,3,4,9-Tetrahydro-1H-xanthen-1-one

分子式：

C₁₃H₁₂O₂

分子量：

200.233183860779

2,3,4,9-四氢-1H-黄原-1-酮(37761-63-0)名称与标识符

名称

英文别名：

37761-63-0;EN300-37353875;2,3,4,9-Tetrahydro-1H-xanthen-1-one;

标识符

InChIKey：

SIQUTUHFFSWOFT-UHFFFAOYSA-N

Inchi：

1S/C13H12O2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-2,4,6H,3,5,7-8H2

SMILES：

O1C2C=CC=CC=2CC2C(CCCC1=2)=O

2,3,4,9-四氢-1H-黄原-1-酮(37761-63-0)物化性质

计算特性

精确分子量 : 200.083729621g/mol
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 200.083729621g/mol
重原子数量 : 15
复杂度 : 317
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） : 2.2
拓扑分子极性表面积 : 26.3Å²

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37761-63-0 (2,3,4,9-四氢-1H-黄原-1-酮,2,3,4,9-Tetrahydro-1H-xanthen-1-one)

2,3,4,9-四氢-1H-黄原-1-酮(37761-63-0)名称与标识符

名称

标识符

2,3,4,9-四氢-1H-黄原-1-酮(37761-63-0)物化性质

计算特性

2,3,4,9-四氢-1H-黄原-1-酮(37761-63-0)相关文献

目录