HCID32282

4-(4-Tolyl)butanoic acid methyl ester

methyl 4-(4-methylphenyl)butanoate

C12H16O2192.25 g/molCAS 24306-23-8

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IDENTITY

结构与身份

标准SMILES: COC(=O)CCCc1ccc(C)cc1
InChIKey: RWYCVUAUOUCQAN-UHFFFAOYSA-N
分子式: C12H16O2
平均分子量: 192.25 g/mol
单同位素质量: 192.11502975

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 5
重原子: 14
形式电荷: 0
复杂度: 169

ALIASES

名称与别名

共 16 条

24306-23-84-(4-Tolyl)butanoic acid methyl esterDTXSID40179042RefChem:288252DTXCID70101533methyl 4-(4-methylphenyl)butanoateMethyl 4-p-tolylbutanoatep-Methylbenzenebutyric acid methyl esterButyric acid, 4-p-tolyl-, methyl esterBenzenebutanoic acid, 4-methyl-, methyl esterMethyl 4-(p-tolyl)butanoateMethyl 4-(p-tolyl)-butyrateSCHEMBL1928824RWYCVUAUOUCQAN-UHFFFAOYSA-NAKOS000348978DB-172207

REACTIONS

参与反应

3 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713515B2

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

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uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06624154B1

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