HCID54025157

3-(3-Hydroxy-4-methoxyphenyl)prop-2-enal

C10H10O3178.18 g/molCAS 110037-35-9

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IDENTITY

结构与身份

标准SMILES: COc1ccc(C=CC=O)cc1O
InChIKey: LBRCSWZZLJVBKB-UHFFFAOYSA-N
分子式: C10H10O3
平均分子量: 178.18 g/mol
单同位素质量: 178.06299418

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 13
形式电荷: 0
复杂度: 189

ALIASES

名称与别名

共 9 条

3-hydroxy-4-methoxycinnamaldehyde3-(3-hydroxy-4-methoxyphenyl)prop-2-enal333754-86-2SCHEMBL2689736SCHEMBL4444910DTXSID60708479LBRCSWZZLJVBKB-UHFFFAOYSA-NAKOS0175144742-Propenal, 3-(3-hydroxy-4-methoxyphenyl)-

REACTIONS

参与反应

4 条

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

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uspto-grants-2004_09 · 10.6084/m9.figshare.5104873.v1 · US06794531B2

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uspto-grants-2004_09 · 10.6084/m9.figshare.5104873.v1 · US06794531B2

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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