2513-25-9 (2,2,-二甲基-2H-苯并吡喃,2h-1-benzopyran, 2,2-dimethyl-)

快速询单

结构式：

2,2,-二甲基-2H-苯并吡喃MOL文件

CAS号：

2513-25-9

中文名称：

2,2,-二甲基-2H-苯并吡喃

英文名称：

2h-1-benzopyran, 2,2-dimethyl-

分子式：

C₁₁H₁₂O

分子量：

160.212383270264

2,2,-二甲基-2H-苯并吡喃(2513-25-9)名称与标识符

名称

中文别名：

2,2,-二甲基-2H-苯并吡喃;

英文别名：

2h-1-benzopyran, 2,2-dimethyl-;2,2-dimethylchromene;2,2-Dimethylbenzopyran;Q27283291;M07GJA13Z5;MFCD17019353;UNII-M07GJA13Z5;AI3-07610;FC 1;2513-25-9;2,2-Dimethyl-2H-chromene #;DTXSID70179813;SCHEMBL1748567;2,2-DIMETHYL-3-CHROMENE;D78717;1,2-BENZOPYRAN, 2,2-DIMETHYL-;2,2-Dimethyl-2H-1-benzopyran;2,2-Dimethyl-2H-chromene;AKOS016344863;

标识符

InChIKey：

SAXKWTPDZMBKSQ-UHFFFAOYSA-N

Inchi：

1S/C11H12O/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-8H,1-2H3

SMILES：

O1C2C=CC=CC=2C=CC1(C)C

2,2,-二甲基-2H-苯并吡喃(2513-25-9)物化性质

实验特性

PSA : 9.23
折射率 : 1.5400 (estimate)
沸点 : 246.12°C (rough estimate)
闪点 : 86.6°C
密度 : 0.9640 (rough estimate)

计算特性

精确分子量 : 160.08886
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 160.088815
重原子数量 : 12
复杂度 : 193
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） : 3.3
拓扑分子极性表面积 : 9.2

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