28028-62-8 ((E)-阿魏酸乙酯,2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester, (E)-)

CAS号:
28028-62-8
中文名称:
(E)-阿魏酸乙酯
英文名称:
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester, (E)-
分子式:
C12H14O4
分子量:
222.237164020538

(E)-阿魏酸乙酯(28028-62-8)名称与标识符

名称

中文别名:
(E)-阿魏酸乙酯;反式-阿魏酸乙酯;
英文别名:
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester, (E)-;Ethyl (E)-ferulate;ethyl 4-hydroxy-3-methoxycinnamate;(E)-Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate;(E)-Ethyl-3-(4-hydroxy-3-methoxyphenyl)acrylate;ORISTRACT EF;5B8915UELW;HMS3885K08;CS-0007109;ethyl (E)-4-hydroxy-3-methoxycinnamate;A825117;AKOS025310714;ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate;Ethyl (2e)-3-(4-Hydroxy-3-Methoxyphenyl)prop-2-Enoate;PS-4365;ethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate;Ferulic acid ethyl ester;4046-02-0;ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;BCP15347;Ethyl ferulate;AKOS015889646;LS-14074;NSC 14879;O11765;(E)-3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid ethyl ester;(E)-Ethyl3-(4-hydroxy-3-methoxyphenyl)acrylate;ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate;XE160602;ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;Ethyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;HY-N0061;Ferulic acid ethyl ester;BDBM50297424;UNII-5B8915UELW;CHEMBL286796;2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester, (2E)-;AI3-23714;Ethyl 4-hydroxy-3-methoxycinnamate, 98%;NSC-14879;NOMCORT EF;2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester;(E)-3-(4-Hydroxy-3-methoxy-phenyl)-;Ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate;EN300-226629;CCG-207901;AC-33985;NSC14879;MFCD00009190;Ethyl ferulate - Natural grade;F-2010;EINECS 223-745-5;Z53836697;ethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate;s3855;ETHYL 4'-HYDROXY-3'-METHOXYCINNAMAT;Ethyl 4'-hydroxy-3'-methoxycinnamate;DB11285;Q27261780;Ferulic acid, ethyl ester;Ethyl 4-hydroxy-3-methoxycinnamate (Ferulic acid ethyl ester);28028-62-8;

标识符

InChIKey:
ATJVZXXHKSYELS-ALCCZGGFSA-N
Inchi:
1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5-
SMILES:
CCOC(/C=C\C1C=C(OC)C(O)=CC=1)=O

(E)-阿魏酸乙酯(28028-62-8)物化性质

实验特性

  • PSA : 55.76
  • 熔点 : 67 ºC
  • 溶解度 : 微溶 (1 g/L) (25 ºC),
  • 颜色与性状 : Powder
  • 密度 : 1.173±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 222.08922
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 222.08920892g/mol
  • 重原子数量 : 16
  • 复杂度 : 249
  • 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 : 1
  • 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 : 55.8Ų