326604-37-9 ((2(5H)-Furanone, 3-(4-hydroxyphenyl)-4-[4-(methylsulfonyl)phenyl]-)

CAS号:
326604-37-9
英文名称:
2(5H)-Furanone, 3-(4-hydroxyphenyl)-4-[4-(methylsulfonyl)phenyl]-
分子式:
C17H14O5S
分子量:
330.355063915253

2(5H)-Furanone, 3-(4-hydroxyphenyl)-4-[4-(methylsulfonyl)phenyl]-(326604-37-9)名称与标识符

名称

英文别名:
2(5H)-Furanone, 3-(4-hydroxyphenyl)-4-[4-(methylsulfonyl)phenyl]-;

标识符

InChIKey:
VHWZIWIGNRZWFK-UHFFFAOYSA-N
Inchi:
1S/C17H14O5S/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(19)16(15)12-2-6-13(18)7-3-12/h2-9,18H,10H2,1H3
SMILES:
O1CC(C2=CC=C(S(C)(=O)=O)C=C2)=C(C2=CC=C(O)C=C2)C1=O

2(5H)-Furanone, 3-(4-hydroxyphenyl)-4-[4-(methylsulfonyl)phenyl]-(326604-37-9)物化性质

实验特性

  • PSA : 80.67
  • 沸点 : 634.1±55.0 °C(Predicted)
  • 酸度系数(pKa) : 9.72±0.30(Predicted)
  • 密度 : 1.411±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 330.05622