87345-53-7 (2-丙烯醛，3-（4-羟基-3,5-二甲氧基苯基）-,2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-)

快速询单

结构式：

2-丙烯醛，3-（4-羟基-3,5-二甲氧基苯基）-MOL文件

CAS号：

87345-53-7

中文名称：

2-丙烯醛，3-（4-羟基-3,5-二甲氧基苯基）-

英文名称：

2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-

分子式：

C₁₁H₁₂O₄

分子量：

208.210583686829

植物源：

大耳叶风毛菊土瑞栎业平竹大耳叶风毛菊

2-丙烯醛，3-（4-羟基-3,5-二甲氧基苯基）-(87345-53-7)名称与标识符

名称

英文别名：

2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-;Q2288772;DTXSID201016569;3,5-dimethoxy-4 hydroxycinnamaldehyde;CDICDSOGTRCHMG-UHFFFAOYSA-N;3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal;FT-0714545;87345-53-7;Sinapic aldehyde;trans-sinapoyl aldehyde;Sinapoyl aldehyde;(E)-sinapoyl aldehyde;Sinapaldehyde;(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal;sinapyl aldehyde;Sinapinaldehyde;(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde;

标识符

InChIKey：

CDICDSOGTRCHMG-UHFFFAOYSA-N

Inchi：

1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3

SMILES：

O(C)C1C=C(C=CC=O)C=C(C=1O)OC

2-丙烯醛，3-（4-羟基-3,5-二甲氧基苯基）-(87345-53-7)物化性质

计算特性

精确分子量 : 208.07355886g/mol
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 4
同位素质量 : 208.07355886g/mol
重原子数量 : 15
复杂度 : 213
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 : 1
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.4
拓扑分子极性表面积 : 55.8Å²

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4206-58-0(ANS-3,5-甲氧基-4-羟基肉桂酸甲醛) 458-36-6(松柏醛) 391895-46-8((2E)-3-(4-乙氧基-3-甲氧基苯基)丙烯醛) 34346-90-2(3,4,5-三甲氧基肉桂醛) 58045-88-8(（E） -3,4-二甲氧基肉桂醛) 71277-13-9((2E)-3-(3,4,5-三甲氧基苯基)丙烯醛) 795310-80-4(4-(3-甲基-1,2,4-氧杂二唑-5-基)哌啶盐酸盐) 79598-73-5(顺式-3-羟基环戊烷羧酸甲酯)

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87345-53-7 (2-丙烯醛，3-（4-羟基-3,5-二甲氧基苯基）-,2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-)

2-丙烯醛，3-（4-羟基-3,5-二甲氧基苯基）-(87345-53-7)名称与标识符

名称

标识符

2-丙烯醛，3-（4-羟基-3,5-二甲氧基苯基）-(87345-53-7)物化性质

计算特性

2-丙烯醛，3-（4-羟基-3,5-二甲氧基苯基）-(87345-53-7)相关文献

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