uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05726172
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)c1c(C)ccnc1C
- InChIKey
- DIZHKKYVLBSXAW-UHFFFAOYSA-N
- 分子式
- C10H13NO2
- 平均分子量
- 179.22 g/mol
- 单同位素质量
- 179.09462866
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 39.2 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 182
物化、安全与法规信息正在同步。
ALIASES
名称与别名
ethyl 2,4-dimethylnicotinate37669-78-6ethyl 2,4-dimethylpyridine-3-carboxylateMFCD000519623-Pyridinecarboxylic acid, 2,4-dimethyl-, ethyl ester2,4-Dimethylpyridine-3-carboxylic acid ethyl esterSCHEMBL3065692,4-DIMETHYL-3-PYRIDINECARBOXLIC ACID ETHYL ESTERDTXSID40352974DIZHKKYVLBSXAW-UHFFFAOYSA-N2,4-dimethyl-3-carboethoxypyridineCL0003SBB0580413-Ethoxycarbonyl-2,4-dimethylpyridineAKOS0062284392,4-Dimethylnicotinic acid ethyl esterCS-W017269FS-2716SB211442,4-dimethyl-nicotinic acid ethyl ester
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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查看uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07622583B2
查看uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07790747B2
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