61670-31-3 ((2-Propen-1-one,1-(5-hydroxy-8-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-phenyl-)

CAS号:
61670-31-3
英文名称:
2-Propen-1-one,1-(5-hydroxy-8-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-phenyl-
分子式:
C21H20O4
分子量:
336.381106376648

2-Propen-1-one,1-(5-hydroxy-8-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-phenyl-(61670-31-3)名称与标识符

名称

英文别名:
2-Propen-1-one,1-(5-hydroxy-8-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-phenyl-;2-Propen-1-one, 1-(5-hydroxy-8-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-phenyl-;

标识符

InChIKey:
VHKMGDKNXCVLIB-UHFFFAOYSA-N
Inchi:
1S/C21H20O4/c1-21(2)12-11-15-19(23)16(13-18(24-3)20(15)25-21)17(22)10-9-14-7-5-4-6-8-14/h4-13,23H,1-3H3
SMILES:
C(C1C(O)=C2C(=C(OC)C=1)OC(C)(C)C=C2)(=O)C=CC1=CC=CC=C1

2-Propen-1-one,1-(5-hydroxy-8-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-phenyl-(61670-31-3)物化性质

实验特性

  • PSA : 55.76
  • 沸点 : 542.5±50.0 °C(Predicted)
  • 酸度系数(pKa) : 7.65±0.40(Predicted)
  • 密度 : 1.193±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 336.1362