HCID805716

4-Methoxy-3-methylbenzenebutanoic acid

4-(4-methoxy-3-methylphenyl)butanoic acid

C12H16O3208.25 g/molCAS 33446-15-0

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IDENTITY

结构与身份

标准SMILES: COc1ccc(CCCC(=O)O)cc1C
InChIKey: CWNPAVGNPUYSNX-UHFFFAOYSA-N
分子式: C12H16O3
平均分子量: 208.25 g/mol
单同位素质量: 208.10994437

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 5
重原子: 15
形式电荷: 0
复杂度: 203

ALIASES

名称与别名

共 23 条

33446-15-04-Methoxy-3-methylbenzenebutanoic acidRefChem:2938564-(4-methoxy-3-methylphenyl)butanoic acid4-(4-Methoxy-3-methyl-phenyl)-butyric acidMFCD03140576Cambridge id 6686188Oprea1_301500SCHEMBL1453516CWNPAVGNPUYSNX-UHFFFAOYSA-NDTXSID601283629SBB011203STK102977AKOS000302191AB10156ST0637064-(3-methyl-4-methoxyphenyl)butyric acid4-(4-Methoxy-3-methylphenyl)butyric acidDB-1850484-(4-methoxy-3-methyl-phenyl)butanoic acid

REACTIONS

参与反应

12 条

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

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767667B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767667B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07910617B2

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

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uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06613917B1

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uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06613917B1

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

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