89882-64-4 ((1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4-methoxy-5-nitro-,trimethyl ester)

CAS号:
89882-64-4
英文名称:
1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4-methoxy-5-nitro-,trimethyl ester
分子式:
C18H15N3O9
分子量:
417.326404809952

1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4-methoxy-5-nitro-,trimethyl ester(89882-64-4)名称与标识符

名称

英文别名:
1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4-methoxy-5-nitro-,trimethyl ester;1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4-methoxy-5-nitro-, 2,7,9-trimethyl ester;

标识符

InChIKey:
DGAPMRFKXBKPEB-UHFFFAOYSA-N
Inchi:
1S/C18H15N3O9/c1-27-15-8-6-10(18(24)30-4)19-12(8)11-7(16(22)28-2)5-9(17(23)29-3)20-13(11)14(15)21(25)26/h5-6,19H,1-4H3
SMILES:
N1C2C(=C3NC(C(OC)=O)=CC3=C(OC)C=2[N+]([O-])=O)C(C(OC)=O)=CC=1C(OC)=O

1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4-methoxy-5-nitro-,trimethyl ester(89882-64-4)物化性质

实验特性

  • LogP : 2.51590
  • PSA : 162.63000
  • 沸点 : 644.7±50.0 °C(Predicted)
  • 酸度系数(pKa) : 9.28±0.40(Predicted)
  • 密度 : 1.497±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 417.08100

1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4-methoxy-5-nitro-,trimethyl ester(89882-64-4)上下游