CAS 17138-28-2|Ethyl 4-hydroxyphenylacetate|ethyl 2-(4-hydroxyphenyl)acetate|ethyl 2-(4-hydroxyphenyl)acetate|Ethyl 2-(4-hydroxyphenyl)acetate|Ethyl (p-Hydroxyphenyl)acetate|2-(4-Hydroxyphenyl)aceti...

基本信息

化学结构

分子式

C₁₀H₁₂O₃

分子量

180.20048

精确质量

180.07864424

电荷

InChI

InChI=1S/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3

InChIKey

HYUPPKVFCGIMDB-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)Cc1ccc(cc1)O

Isomeric Smiles

c1(ccc(cc1)O)CC(=O)OCC

计算属性

JChem

Acid pKa

9.496424

质子受体

质子供体

LogD (pH = 5.5)

1.8100872

LogD (pH = 7.4)

1.8066866

Log P

1.8101308

摩尔折射率

48.8642

极化性

19.065287

极化表面积

46.53

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

别名

Ethyl 4-hydroxyphenylacetateEthyl 2-(4-hydroxyphenyl)acetateEthyl (p-Hydroxyphenyl)acetate2-(4-Hydroxyphenyl)acetic Acid Ethyl EsterEthyl 2-(p-Hydroxyphenyl)acetate(p-Hydroxyphenyl)acetic Acid Ethyl EsterEthyl 2-(4-hydroxyphenyl)acetate4-羟基苯基乙酸乙酯Ethyl 4-hydroxyphenylacetate4-Hydroxyphenylacetic Acid Ethyl Ester4-Hydroxybenzeneacetic Acid Ethyl Ester

IUPAC标准名

ethyl 2-(4-hydroxyphenyl)acetate

IUPAC传统名

ethyl 2-(4-hydroxyphenyl)acetate

名称和标识

数据登录号

CAS号

17138-28-2

MDL号

MFCD00016491

PubChem SID

162057197