Butanamide, 4-oxo- | 27719-81-9
英文名称:
Butanamide, 4-oxo-
CAS No.:
27719-81-9
分子式:
C4 H7 NO2
分子量:
101.10388
名称和标识符
InChIKey
WUOVJZPIPLAQBE-UHFFFAOYSA-N
Inchi
InChI=1S/C4H7NO2/c5-4(7)2-1-3-6/h3H,1-2H2,(H2,5,7)
SMILES
O=CCCC(N)=O
别名信息
- 英文别名 -
Butanamide, 4-oxo-
4-oxobutanamide
3-Formylpropionamide
Succinaldehydamide(8CI)
SCHEMBL712491
SCHEMBL22282988
27719-81-9
DTXSID30602354
物化性质
实验特性
计算特性
精确分子量
101.04771
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
3
同位素质量
101.047678466g/mol
重原子数量
7
复杂度
79.8
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
-1.5
拓扑分子极性表面积
60.2Ų
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