741286-56-6 (4-(4-methoxy-pyridin-2-yl)-2,4-dioxobutanoic acid ethyl ester,4-(4-Methoxy-pyridin-2-yl)-2,4-dioxobutanoic acid ethyl ester)

CAS号:
741286-56-6
中文名称:
4-(4-methoxy-pyridin-2-yl)-2,4-dioxobutanoic acid ethyl ester
英文名称:
4-(4-Methoxy-pyridin-2-yl)-2,4-dioxobutanoic acid ethyl ester
分子式:
C12H13NO5
分子量:
251.235323667526

4-(4-methoxy-pyridin-2-yl)-2,4-dioxobutanoic acid ethyl ester(741286-56-6)名称与标识符

名称

中文别名:
4-(4-甲氧基-吡啶-2-基)-2,4-二氧代丁酸乙酯;
英文别名:
4-(4-methoxy-pyridin-2-yl)-2,4-dioxobutanoic acid ethyl ester;MHOWLRXWGIZSPL-UHFFFAOYSA-N;ethyl 4-(4-methoxy-2-pyridyl)-2,4-dioxobutanoate;

标识符

InChIKey:
MHOWLRXWGIZSPL-UHFFFAOYSA-N
Inchi:
1S/C12H13NO5/c1-3-18-12(16)11(15)7-10(14)9-6-8(17-2)4-5-13-9/h4-6H,3,7H2,1-2H3
SMILES:
O(CC)C(C(CC(C1C=C(C=CN=1)OC)=O)=O)=O

4-(4-methoxy-pyridin-2-yl)-2,4-dioxobutanoic acid ethyl ester(741286-56-6)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 7
  • 重原子数量 : 18
  • 复杂度 : 328
  • 拓扑分子极性表面积 : 82.6