63675-07-0 ((3-Pyrrolidinecarboxylic acid, 1-(5-fluoro-2-methylphenyl)-5-oxo-)

CAS号:
63675-07-0
英文名称:
3-Pyrrolidinecarboxylic acid, 1-(5-fluoro-2-methylphenyl)-5-oxo-
分子式:
C12H12FNO3
分子量:
237.226986885071

3-Pyrrolidinecarboxylic acid, 1-(5-fluoro-2-methylphenyl)-5-oxo-(63675-07-0)名称与标识符

名称

英文别名:
3-Pyrrolidinecarboxylic acid, 1-(5-fluoro-2-methylphenyl)-5-oxo-;

标识符

InChIKey:
WBWKJDPXSLQGKZ-UHFFFAOYSA-N
Inchi:
1S/C12H12FNO3/c1-7-2-3-9(13)5-10(7)14-6-8(12(16)17)4-11(14)15/h2-3,5,8H,4,6H2,1H3,(H,16,17)
SMILES:
N1(C2=CC(F)=CC=C2C)C(=O)CC(C(O)=O)C1

3-Pyrrolidinecarboxylic acid, 1-(5-fluoro-2-methylphenyl)-5-oxo-(63675-07-0)物化性质

实验特性

  • PSA : 57.61
  • 沸点 : 533.6±50.0 °C(Predicted)
  • 酸度系数(pKa) : 4.34±0.20(Predicted)
  • 密度 : 1.369±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 237.08016