874289-77-7 ((4H-Cyclohept[c]isoxazole-3-carboxylic acid, 5,6,7,8-tetrahydro-)

CAS号:
874289-77-7
英文名称:
4H-Cyclohept[c]isoxazole-3-carboxylic acid, 5,6,7,8-tetrahydro-
分子式:
C9H11NO3
分子量:
181.188542604446

4H-Cyclohept[c]isoxazole-3-carboxylic acid, 5,6,7,8-tetrahydro-(874289-77-7)名称与标识符

名称

英文别名:
4H-Cyclohept[c]isoxazole-3-carboxylic acid, 5,6,7,8-tetrahydro-;

标识符

InChIKey:
XPNLDFVJBFVCIC-UHFFFAOYSA-N
Inchi:
1S/C9H11NO3/c11-9(12)8-6-4-2-1-3-5-7(6)10-13-8/h1-5H2,(H,11,12)
SMILES:
O1C(C(O)=O)=C2CCCCCC2=N1

4H-Cyclohept[c]isoxazole-3-carboxylic acid, 5,6,7,8-tetrahydro-(874289-77-7)物化性质

实验特性

  • 沸点 : 382.7±42.0 °C(Predicted)
  • 熔点 : 132-134 °C(Solv: hexane (110-54-3); chloroform (67-66-3))
  • 酸度系数(pKa) : 2.37±0.20(Predicted)
  • 密度 : 1.271±0.06 g/cm3(Predicted)