HCID2733715

4-(4-Chlorophenyl)-2-methyl-4-oxobutanoic acid

C11H11ClO3226.65 g/molCAS 52240-20-7

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IDENTITY

结构与身份

标准SMILES: CC(CC(=O)c1ccc(Cl)cc1)C(=O)O
InChIKey: GSFUBCGLEXRAJW-UHFFFAOYSA-N
分子式: C11H11ClO3
平均分子量: 226.65 g/mol
单同位素质量: 226.0396719

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 54.4 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: 244

ALIASES

名称与别名

共 18 条

4-(4-chlorophenyl)-2-methyl-4-oxobutanoic acid52240-20-73-(P-CHLOROBENZOYL)-2-METHYLPROPIONIC ACIDMFCD018632603-(4-Chlorobenzoyl)-2-methylpropionic acid2-Methyl-4-oxo-4-(4'-chlorophenyl)butyric acid4-(4-chlorophenyl)-2-methyl-4-oxo-butanoic AcidSCHEMBL8306301GSFUBCGLEXRAJW-UHFFFAOYSA-NCCA24020SBB003312AKOS009157803CS-0233656ST504058694-(4-chlorophenyl)-2-methyl-4-oxobutanoicacidEN300-135168G35118Z838957314

REACTIONS

参与反应

4 条

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

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uspto-grants-1980_10 · 10.6084/m9.figshare.5104873.v1 · US04226775

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uspto-grants-1978_09 · 10.6084/m9.figshare.5104873.v1 · US04112095

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uspto-grants-1978_09 · 10.6084/m9.figshare.5104873.v1 · US04117130

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