HCID141190

Benzenebutanoic acid, gamma-oxo-, methyl ester

methyl 4-oxo-4-phenylbutanoate

C11H12O3192.21 g/molCAS 25333-24-8

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IDENTITY

结构与身份

标准SMILES: COC(=O)CCC(=O)c1ccccc1
InChIKey: XVRCVKWYKYJEIG-UHFFFAOYSA-N
分子式: C11H12O3
平均分子量: 192.21 g/mol
单同位素质量: 192.07864424

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 5
重原子: 14
形式电荷: 0
复杂度: 205

ALIASES

名称与别名

共 37 条

25333-24-8Benzenebutanoic acid, gamma-oxo-, methyl esterDTXSID90179976RefChem:1078381DTXCID50102467Methyl 3-benzoylpropionateMethyl 4-oxo-4-phenylbutanoate3-Benzoylpropionic Acid Methyl EsterMFCD00014906Methyl 4-Oxo-4-phenylbutyrate4-Oxo-4-phenylbutyric Acid Methyl EsterPropionic acid, 3-benzoyl-, methyl esterBenzenebutanoic acid, .gamma.-oxo-, methyl esterMethyl 3-benzoylpropanoatemethyl 4-oxo-4-phenyl-butanoatemethyl-3-benzoylpropionateSCHEMBL135356TIMTEC-BB SBB008046XVRCVKWYKYJEIG-UHFFFAOYSA-Methyl 4-oxo-4-phenylbutanoate #

REACTIONS

相关反应

29 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 (9/10) · 10.1039/C8SC04228D

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uspto-grants-2000_02 · 10.6084/m9.figshare.5104873.v1 · US06028224

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uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06924300B2

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uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06924300B2

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uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06924300B2

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uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06924300B2

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