HCID15045504

Ethyl 6-(hydroxymethyl)pyridine-3-carboxylate

C9H11NO3181.19 g/molCAS 35005-81-3

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1ccc(CO)nc1
InChIKey: RDSGPHNFOMPILP-UHFFFAOYSA-N
分子式: C9H11NO3
平均分子量: 181.19 g/mol
单同位素质量: 181.07389321

COMPUTED

结构计算性质

已同步

XLogP: 0.2
极性表面积: 59.4 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 13
形式电荷: 0
复杂度: 172

ALIASES

名称与别名

共 24 条

35005-81-3ethyl 6-(hydroxymethyl)pyridine-3-carboxylateDTXSID70567473RefChem:344490DTXCID10518247Ethyl 6-(hydroxymethyl)nicotinate6-Hydroxymethyl-nicotinic acid ethyl esterMFCD121311303-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl esterF2167-1141Ethyl6-(hydroxymethyl)nicotinateEthyl 6-hydroxymethylnicotinateSCHEMBL2772711RDSGPHNFOMPILP-UHFFFAOYSA-NSMSSF-0533635SBB089778AKOS015838698AS-5214SB52670FE142504

REACTIONS

参与反应

10 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-1992_04 · 10.6084/m9.figshare.5104873.v1 · US05106859

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uspto-grants-1992_04 · 10.6084/m9.figshare.5104873.v1 · US05106859

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2006_01 · 10.6084/m9.figshare.5104873.v1 · US06992095B2

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uspto-grants-2001_05 · 10.6084/m9.figshare.5104873.v1 · US06228868B1

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uspto-grants-2009_06 · 10.6084/m9.figshare.5104873.v1 · US07547700B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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