500111-29-5 ((9H-Carbazole-2,3-dicarboxylic acid, 1-methyl-, 2-methyl ester)

CAS号:
500111-29-5
英文名称:
9H-Carbazole-2,3-dicarboxylic acid, 1-methyl-, 2-methyl ester
分子式:
C16H13NO4
分子量:
283.278724431992

9H-Carbazole-2,3-dicarboxylic acid, 1-methyl-, 2-methyl ester(500111-29-5)名称与标识符

名称

英文别名:
9H-Carbazole-2,3-dicarboxylic acid, 1-methyl-, 2-methyl ester;

标识符

InChIKey:
JSFHSYWLUNDCJP-UHFFFAOYSA-N
Inchi:
1S/C16H13NO4/c1-8-13(16(20)21-2)11(15(18)19)7-10-9-5-3-4-6-12(9)17-14(8)10/h3-7,17H,1-2H3,(H,18,19)
SMILES:
N1C2=C(C=CC=C2)C2=C1C(C)=C(C(OC)=O)C(C(O)=O)=C2

9H-Carbazole-2,3-dicarboxylic acid, 1-methyl-, 2-methyl ester(500111-29-5)物化性质

实验特性

  • PSA : 82.22
  • 沸点 : 539.2±50.0 °C(Predicted)
  • 酸度系数(pKa) : 3.69±0.30(Predicted)
  • 密度 : 1.397±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 282.07666