64302-04-1 ((4-Pyridinecarboxylic acid, 4-methylphenyl ester)

CAS号:
64302-04-1
英文名称:
4-Pyridinecarboxylic acid, 4-methylphenyl ester
分子式:
C13H11NO2
分子量:
213.231943368912

4-Pyridinecarboxylic acid, 4-methylphenyl ester(64302-04-1)名称与标识符

名称

英文别名:
4-Pyridinecarboxylic acid, 4-methylphenyl ester;

标识符

InChIKey:
HASHJSBVPOQHGK-UHFFFAOYSA-N
Inchi:
1S/C13H11NO2/c1-10-2-4-12(5-3-10)16-13(15)11-6-8-14-9-7-11/h2-9H,1H3
SMILES:
C1=NC=CC(C(OC2=CC=C(C)C=C2)=O)=C1

4-Pyridinecarboxylic acid, 4-methylphenyl ester(64302-04-1)物化性质

实验特性

  • PSA : 39.19
  • 沸点 : 337.9±17.0 °C(Predicted)
  • 酸度系数(pKa) : 2.92±0.10(Predicted)
  • 密度 : 1.169±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 213.07903