495407-13-1 ((2-Quinolinecarboxylic acid, 4-hydroxy-8-nitro-6-(phenylmethoxy)-,methyl ester)

CAS号:
495407-13-1
英文名称:
2-Quinolinecarboxylic acid, 4-hydroxy-8-nitro-6-(phenylmethoxy)-,methyl ester
分子式:
C18H14N2O6
分子量:
354.313564777374

2-Quinolinecarboxylic acid, 4-hydroxy-8-nitro-6-(phenylmethoxy)-,methyl ester(495407-13-1)名称与标识符

名称

英文别名:
2-Quinolinecarboxylic acid, 4-hydroxy-8-nitro-6-(phenylmethoxy)-,methyl ester;2-Quinolinecarboxylic acid, 4-hydroxy-8-nitro-6-(phenylmethoxy)-, methyl ester;

标识符

InChIKey:
HGXVAVCRDPGOSB-UHFFFAOYSA-N
Inchi:
1S/C18H14N2O6/c1-25-18(22)14-9-16(21)13-7-12(8-15(20(23)24)17(13)19-14)26-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,21)
SMILES:
N1C2C(=CC(OCC3=CC=CC=C3)=CC=2[N+]([O-])=O)C(O)=CC=1C(OC)=O

2-Quinolinecarboxylic acid, 4-hydroxy-8-nitro-6-(phenylmethoxy)-,methyl ester(495407-13-1)物化性质

实验特性

  • PSA : 111.79
  • 沸点 : 605.1±50.0 °C(Predicted)
  • 酸度系数(pKa) : 5.39±0.40(Predicted)
  • 密度 : 1.419±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 354.08522