CAS 4046-02-0|ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate|ethyl 3-(4-hydroxy-3-methoxyphen...

基本信息

化学结构

分子式

C₁₂H₁₄O₄

分子量

222.23716

精确质量

222.08920893

电荷

InChI

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+

InChIKey

ATJVZXXHKSYELS-FNORWQNLSA-N

Canonic Smiles

CCOC(=O)/C=C/c1ccc(c(c1)OC)O

Isomeric Smiles

C(=O)(/C=C/c1cc(c(cc1)O)OC)OCC

计算属性

JChem

Acid pKa

9.867808

质子受体

质子供体

LogD (pH = 5.5)

2.4108665

LogD (pH = 7.4)

2.4094183

Log P

2.410885

摩尔折射率

61.0217

极化性

23.263937

极化表面积

55.76

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

IUPAC传统名

ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

别名

Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylateFERULIC ACID ETHYLESTER4-羟基-3-甲氧基肉桂酸乙酯Ethyl 4-hydroxy-3-methoxycinnamateEthyl ferulateFerulic acid ethyl esterEthyl 3-(4-hydroxy-3-methoxyphenyl)acrylateEthyl 4-hydroxy-3-methoxycinnamate 98%Ethyl ferulate阿魏酸乙酯

名称和标识

数据登录号

MDL号

CAS号

EC号

PubChem SID

Beilstein号