HCID14923996

3-(4-Hydroxyphenyl)-2-isopropoxypropanoic acid methyl ester

methyl 3-(4-hydroxyphenyl)-2-propan-2-yloxypropanoate

C13H18O4238.28 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(Cc1ccc(O)cc1)OC(C)C
InChIKey: MBKFYFOJILTJTR-UHFFFAOYSA-N
分子式: C13H18O4
平均分子量: 238.28 g/mol
单同位素质量: 238.12050905

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 55.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 6
重原子: 17
形式电荷: 0
复杂度: 232

ALIASES

名称与别名

共 4 条

SCHEMBL3993110MBKFYFOJILTJTR-UHFFFAOYSA-N3-(4-hydroxyphenyl)-2-isopropoxypropanoic acid methyl ester3-(4-Hydroxy-phenyl)-2-isopropoxy-propionic acid methyl ester

REACTIONS

相关反应

4 条

uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06630600B1

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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

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uspto-grants-2009_06 · 10.6084/m9.figshare.5104873.v1 · US07544812B2

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