CAS 5453-67-8|Dimethyl 2,6-pyridinedicarboxylate|2,6-dimethyl pyridine-2,6-dicarboxylate|2,6-dimethyl pyridine-2,6-dicarboxylate|dimethyl pyridine-2,6-dicarboxylate|2,6-dimethyl pyridine-2,6-dicarbo...

基本信息

化学结构

分子式

C₉H₉NO₄

分子量

195.17206

精确质量

195.05315777

电荷

InChI

InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h3-5H,1-2H3

InChIKey

SNQQJEJPJMXYTR-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1cccc(n1)C(=O)OC

Isomeric Smiles

c1(cccc(n1)C(=O)OC)C(=O)OC

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.1342132

LogD (pH = 7.4)

1.1342278

Log P

1.134228

摩尔折射率

47.2077

极化性

18.375013

极化表面积

65.49

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

Dimethyl 2,6-pyridinedicarboxylatedimethyl pyridine-2,6-dicarboxylate2,6-dimethyl pyridine-2,6-dicarboxylate2,6-Pyridinedicarboxylic acid dimethyl esterDimethyl 2,6-pyridinedicarboxylate吡啶-2,6-二羧酸二甲酯Pyridine-2,6-dicarboxylic acid dimethyl ester2,6-吡啶二羧酸二甲酯Dimethyl pyridine-2,6-dicarboxylate

IUPAC传统名

2,6-dimethyl pyridine-2,6-dicarboxylate

IUPAC标准名

2,6-dimethyl pyridine-2,6-dicarboxylate

名称和标识

数据登录号

CAS号

5453-67-8

MDL号

MFCD00134493

EC号

226-697-3