HCID157136

Methyl 4-(1-methoxy-1-oxopropan-2-yl)benzoate

C12H14O4222.24 g/molCAS 77959-48-9

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(C(C)C(=O)OC)cc1
InChIKey: LMGDXEZEUHTSEE-UHFFFAOYSA-N
分子式: C12H14O4
平均分子量: 222.24 g/mol
单同位素质量: 222.08920892

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 52.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 5
重原子: 16
形式电荷: 0
复杂度: 254

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1618

ALIASES

名称与别名

共 12 条

methyl 4-(1-methoxy-1-oxopropan-2-yl)benzoate77959-48-9METHYL 4-(1-METHOXY-1-OXOPROPAN-2-YL) BENZOATEBenzeneacetic acid, 4-(methoxycarbonyl)-alpha-methyl-, methyl esterSCHEMBL13014944DTXSID00999147Dimethyl alpha-Methylhomoterephthalate4-(1-Carboxyethyl)benzoic acid, dimethylDB-221095alpha-Methylhomoterephthalic Acid Dimethyl Esteralpha-Methylhomoterphthalic Acid Dimethyl EsterG80259

REACTIONS

参与反应

4 条

uspto-grants-1985_07 · 10.6084/m9.figshare.5104873.v1 · US04532241

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uspto-grants-1984_07 · 10.6084/m9.figshare.5104873.v1 · US04460591

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uspto-grants-1994_12 · 10.6084/m9.figshare.5104873.v1 · US05374726

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uspto-grants-1996_07 · 10.6084/m9.figshare.5104873.v1 · US05536724

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