HCID230995

3-(4-Methoxyphenyl)prop-2-enal

C10H10O2162.18 g/molCAS 1963-36-6

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IDENTITY

结构与身份

标准SMILES: COc1ccc(C=CC=O)cc1
InChIKey: AXCXHFKZHDEKTP-UHFFFAOYSA-N
分子式: C10H10O2
平均分子量: 162.18 g/mol
单同位素质量: 162.06807956

COMPUTED

结构计算性质

等待补全

XLogP: 1.8
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 155

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 9 条

3-(4-methoxyphenyl)prop-2-enalDTXSID60859692RefChem:1066889DTXCID608098194-methoxy cinnamaldehydeSCHEMBL170085SCHEMBL547945(E)-para-methoxycinnamaldehydeAKOS028108636

REACTIONS

参与反应

25 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741508B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06703182B1

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06566557B2

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uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06943180B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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