HCID14603108

4-(4-Hydroxy-1-Butynyl)benzoic Acid Methyl Ester

methyl 4-(4-hydroxybut-1-ynyl)benzoate

C12H12O3204.22 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(C#CCCO)cc1
InChIKey: FCRMPVNWMHHKSE-UHFFFAOYSA-N
分子式: C12H12O3
平均分子量: 204.22 g/mol
单同位素质量: 204.07864424

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 15
形式电荷: 0
复杂度: 263

ALIASES

名称与别名

共 15 条

123910-86-14-(4-Hydroxy-1-Butynyl)benzoic Acid Methyl Estermethyl 4-(4-hydroxybut-1-yn-1-yl)benzoateMethyl 4-(4-hydroxybut-1-ynyl)benzoatemethyl 4-(4-hydroxy-1-butynyl)benzoateMFCD12547323SCHEMBL3458276FCRMPVNWMHHKSE-UHFFFAOYSA-NAS-85442DB-125213CS-0443210methyl 4-(4-hydrox-but-1-yn-1-yl)benzoateF77957F7675844-(4-hydroxy-but-1-ynyl)-benzoic Acid Methyl Ester

REACTIONS

参与反应

12 条

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

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uspto-grants-1990_01 · 10.6084/m9.figshare.5104873.v1 · US04895946

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2000_05 · 10.6084/m9.figshare.5104873.v1 · US06066732

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

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uspto-grants-2009_02 · 10.6084/m9.figshare.5104873.v1 · US07485283B2

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uspto-grants-2009_02 · 10.6084/m9.figshare.5104873.v1 · US07485283B2

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uspto-grants-1991_05 · 10.6084/m9.figshare.5104873.v1 · US05013738

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