HCID85636

3-(2,4-Dimethoxyphenyl)prop-2-enoic acid

C11H12O4208.21 g/molCAS 6972-61-8

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IDENTITY

结构与身份

标准SMILES: COc1ccc(C=CC(=O)O)c(OC)c1
InChIKey: YIKHDPHTFYWYJV-UHFFFAOYSA-N
分子式: C11H12O4
平均分子量: 208.21 g/mol
单同位素质量: 208.07355886

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 55.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 15
形式电荷: 0
复杂度: 237

ALIASES

名称与别名

共 10 条

trans2,4-dimethoxycinnamic acid3-(2,4-dimethoxyphenyl)prop-2-enoic acid(2e)-3-(2,4-dimethoxyphenyl)acrylic acidSCHEMBL79457SCHEMBL29449851YIKHDPHTFYWYJV-UHFFFAOYSA-NAKOS0172783273-(2,4-dimethoxyphenyl)-2-propenoicacidDB-019968NS00043787

REACTIONS

参与反应

14 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04703048

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uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04703048

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05484920

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05484920

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05484920

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uspto-grants-1992_06 · 10.6084/m9.figshare.5104873.v1 · US05124478

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uspto-grants-1996_08 · 10.6084/m9.figshare.5104873.v1 · US05543415

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