HCID11241748

4-Allyloxy-3-allylbenzoic acid methyl ester

methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate

C14H16O3232.27 g/mol

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IDENTITY

结构与身份

标准SMILES: C=CCOc1ccc(C(=O)OC)cc1CC=C
InChIKey: OWUUETLIJGEIAQ-UHFFFAOYSA-N
分子式: C14H16O3
平均分子量: 232.27 g/mol
单同位素质量: 232.10994437

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 35.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 7
重原子: 17
形式电荷: 0
复杂度: 273

ALIASES

名称与别名

共 8 条

SCHEMBL3544993OWUUETLIJGEIAQ-UHFFFAOYSA-Nmethyl 3-allyl-4-(allyloxy)benzoateDB-4310284-Allyloxy-3-allylbenzoic acid methyl estermethyl 3-(2-propen-1-yl)-4-(2-propen-1-yloxy)benzoatemethyl 3-(2propen-1-yl)-4-(2-propen-1-yl-oxy)benzoate137421-52-4

REACTIONS

相关反应

13 条

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05246944

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uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05246944

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

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691843B2

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1994_12 · 10.6084/m9.figshare.5104873.v1 · US05374638

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uspto-grants-1994_12 · 10.6084/m9.figshare.5104873.v1 · US05374638

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uspto-grants-1994_08 · 10.6084/m9.figshare.5104873.v1 · US05334598

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