254-03-5 (4H-1-苯并吡喃,4H-1-Benzopyran)

快速询单

结构式：

4H-1-苯并吡喃MOL文件

CAS号：

254-03-5

中文名称：

4H-1-苯并吡喃

英文名称：

4H-1-Benzopyran

分子式：

C₉H₈O

分子量：

132.159222602844

4H-1-苯并吡喃(254-03-5)名称与标识符

名称

英文别名：

4H-1-Benzopyran;4H-Chromene;1H-Benzopyran;4H-Benzopyran;DTXSID20180050;254-03-5;AKOS006370734;SCHEMBL9209;CHEBI:35603;Q27116528;

标识符

InChIKey：

JCIDEANDDNSHQC-UHFFFAOYSA-N

Inchi：

1S/C9H8O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,6-7H,5H2

SMILES：

O1C=CCC2C=CC=CC1=2

4H-1-苯并吡喃(254-03-5)物化性质

实验特性

LogP : 2.13520
PSA : 9.23000

计算特性

精确分子量 : 132.05800
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 : 132.057514874g/mol
重原子数量 : 10
复杂度 : 140
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） : 2.3
拓扑分子极性表面积 : 9.2Å²

4H-1-苯并吡喃(254-03-5)上下游

乙基苯 2H-色烯氧茚 (phenyl)ethylene 色烷 1-茚酮氢化肉桂醇

4H-1-苯并吡喃(254-03-5)相关文献

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2. Substituted 4H-1-benzopyran-4-ones (chromones): synthesis via palladium-catalysed coupling of their halogeno derivatives with alkenes
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