952053-74-6 ((4-Carboxy-Pennsylvania Green NHS ester)

CAS号:
952053-74-6
英文名称:
4-Carboxy-Pennsylvania Green NHS ester
分子式:
C25H15F2NO7
分子量:
479.385914087296

4-Carboxy-Pennsylvania Green NHS ester(952053-74-6)名称与标识符

名称

英文别名:
4-Carboxy-Pennsylvania Green NHS ester;Benzoic acid, 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester;

标识符

InChIKey:
VCFSUWBIAQIMNW-UHFFFAOYSA-N
Inchi:
1S/C25H15F2NO7/c1-11-6-12(25(33)35-28-22(31)4-5-23(28)32)2-3-13(11)24-14-7-16(26)18(29)9-20(14)34-21-10-19(30)17(27)8-15(21)24/h2-3,6-10,29H,4-5H2,1H3
SMILES:
C(ON1C(=O)CCC1=O)(=O)C1=CC=C(C2C3=C(C=C(O)C(F)=C3)OC3C=2C=C(F)C(=O)C=3)C(C)=C1

4-Carboxy-Pennsylvania Green NHS ester(952053-74-6)物化性质

实验特性

  • 沸点 : 701.0±70.0 °C(Predicted)
  • 熔点 : 225-230 °C
  • 酸度系数(pKa) : 7.34±0.20(Predicted)
  • 密度 : 1.62±0.1 g/cm3(Predicted)