7319-38-2 ((3-Butenal, stabilized with 0.1% MEHQ (~10% w/w in DCM))

快速询单

结构式：

3-Butenal, stabilized with 0.1% MEHQ (~10% w/w in DCM)MOL文件

CAS号：

7319-38-2

英文名称：

3-Butenal, stabilized with 0.1% MEHQ (~10% w/w in DCM)

分子式：

C₄H₆O

分子量：

70.0898413658142

3-Butenal, stabilized with 0.1% MEHQ (~10% w/w in DCM)(7319-38-2)名称与标识符

名称

英文别名：

3-Butenal(6CI,7CI,8CI,9CI);3-butenal;but-3-enal;

标识符

InChIKey：

IWJMQXOBCQTQCF-UHFFFAOYSA-N

Inchi：

1S/C4H6O/c1-2-3-4-5/h2,4H,1,3H2

SMILES：

O=CCC=C

3-Butenal, stabilized with 0.1% MEHQ (~10% w/w in DCM)(7319-38-2)物化性质

实验特性

PSA : 17.07
折射率 : 1.4197 (estimate)
沸点 : 71.54°C (estimate)
熔点 : -77°C (estimate)
密度 : 0.7894 (estimate)

计算特性

精确分子量 : 70.04188
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 2
同位素质量 : 70.042
重原子数量 : 5
复杂度 : 38.9
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

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