methyl (dimethylcarbamoyl)formate | 59571-38-9
methyl (dimethylcarbamoyl)formate
59571-38-9
C5H9NO3
131.13000
名称和标识符
InChIKey |
UGNSBLQYRJEDHD-UHFFFAOYSA-N |
Inchi |
InChI=1S/C5H9NO3/c1-6(2)4(7)5(8)9-3/h1-3H3 |
SMILES |
COC(C(N(C)C)=O)=O |
别名信息
- 英文别名 -
- Acetic acid, (dimethylamino)oxo-, methyl ester
- methyl 2-(dimethylamino)-2-oxoacetate
- dimethyl-oxalamic acid methyl ester
- Dimethyl-oxalamidsaeure-methylester
- N.N-Dimethyl-oxamidsaeure-methylester
- Oxalsaeuremethylesterdimethylamid
- methyl (dimethylcarbamoyl)formate
- SCHEMBL9500357
- DTXSID30534348
- Methyl (dimethylamino)(oxo)acetate
- 59571-38-9
- EN300-1239284
- AKOS026731298
- N,N-dimethyl oxamic acid methyl ester
- UGNSBLQYRJEDHD-UHFFFAOYSA-N
物化性质
实验特性
LogP |
-0.75240 |
PSA |
46.61000 |
计算特性
精确分子量 |
131.05800 |
氢键供体数量 |
0 |
氢键受体数量 |
3 |
可旋转化学键数量 |
2 |
同位素质量 |
131.058243149g/mol |
重原子数量 |
9 |
复杂度 |
130 |
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) |
0 |
拓扑分子极性表面积 |
46.6Ų |
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