HCID2736879

2-(1,3-Benzodioxol-5-yloxy)pyridine-3-carboxylic acid

C13H9NO5259.21 g/molCAS 214758-41-5

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cccnc1Oc1ccc2c(c1)OCO2
InChIKey: HXXHQOGRXQVZCN-UHFFFAOYSA-N
分子式: C13H9NO5
平均分子量: 259.21 g/mol
单同位素质量: 259.04807239

COMPUTED

结构计算性质

等待补全

XLogP: 2.1
极性表面积: 77.9 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 337

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 29 条

214758-41-52-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxylic acid2-(Benzo[d][1,3]dioxol-5-yloxy)nicotinic acidMFCD013137113-Pyridinecarboxylicacid, 2-(1,3-benzodioxol-5-yloxy)-2-(1,3-Benzodioxol-5-Yl-Oxy)Nicotinic Acid2-(1,3-BENZODIOXOL-5-YLOXY)NICOTINIC ACIDMaybridge1_000006MixCom1_000006Oprea1_509777SCHEMBL5359868DTXSID10371672HXXHQOGRXQVZCN-UHFFFAOYSA-NCCG-49523SBB102156STK687952AKOS000210342UNM-0000305966CS-0333615UNM000011078701

REACTIONS

相关反应

24 条

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 (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07183293B2

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07183293B2

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07183293B2

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07183293B2

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