CAS 53188-07-1|3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid|6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid|Trolox C|trolox|6-HYDROXY-2,5,7...

基本信息

化学结构

分子式

C₁₄H₁₈O₄

分子量

250.29032

精确质量

250.12050906

电荷

InChI

InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)

InChIKey

GLEVLJDDWXEYCO-UHFFFAOYSA-N

Canonic Smiles

Cc1c2OC(C)(CCc2c(c(c1C)O)C)C(=O)O

Isomeric Smiles

Cc1c(O)c(C)c2CCC(C)(Oc2c1C)C(=O)O

计算属性

JChem

LogD (pH = 7.4)

0.38

LogD (pH = 5.5)

1.92

Log P

3.66

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

3.77

极化表面积

66.76

极化性

26.80

摩尔折射率

68.08

LOG S

-2.92

数据来源

名称和标识

别名

3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acidTrolox C6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMAN-2-CARBOXYLIC ACIDTrolox(±)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acidTrolox奎诺二甲基丙烯酸酯6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid6-hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

IUPAC标准名

6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

IUPAC传统名

trolox

商标名

TroloxTrolox C

名称和标识

数据登录号

CAS号

53188-07-1

EC号

258-422-8