uspto-grants-1982_08 · 10.6084/m9.figshare.5104873.v1 · US04342771
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IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1cccnc1OC
- InChIKey
- MAHKNPZKAJMOLU-UHFFFAOYSA-N
- 分子式
- C8H9NO3
- 平均分子量
- 167.16 g/mol
- 单同位素质量
- 167.05824315
COMPUTED
结构计算性质
- XLogP
- 1
- 极性表面积
- 48.4 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 160
物化、安全与法规信息正在同步。
ALIASES
名称与别名
Methyl 2-methoxypyridine-3-carboxylate3-Pyridinecarboxylic acid, 2-methoxy-, methyl esterRefChem:814507819-940-5METHYL 2-METHOXYNICOTINATE67367-26-4MFCD068010522-methoxy-nicotinic acid methyl ester2-Methoxynicotinic acid methyl esterMETHYL2-METHOXYNICOTINATESCHEMBL311206SCHEMBL22683399DTXSID40445299MAHKNPZKAJMOLU-UHFFFAOYSA-NAKOS009142725CCG-321346CS-W005690PB12422AC-22521DS-14209
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
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uspto-grants-1989_03 · 10.6084/m9.figshare.5104873.v1 · US04812471
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