HCID61020

3-Methyl-2-butenal

3-methylbut-2-enal

C5H8O84.12 g/molCAS 107-86-8

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IDENTITY

结构与身份

标准SMILES: CC(C)=CC=O
InChIKey: SEPQTYODOKLVSB-UHFFFAOYSA-N
分子式: C5H8O
平均分子量: 84.12 g/mol
单同位素质量: 84.05751487

COMPUTED

结构计算性质

等待补全

XLogP: 1.2
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 6
形式电荷: 0
复杂度: 68

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 79 条

3-Methyl-2-butenal3-Methylbut-2-enal107-86-8Senecialdehyde3-Methylcrotonaldehyde3,3-DimethylacroleinSenecioaldehyde2-BUTENAL, 3-METHYL-Crotonaldehyde, 3-methyl-beta-Methylcrotonaldehydebeta,beta-Dimethylacrolein3,3-Dimethyl-acrylaldehydebeta,beta-Dimethylacrylic aldehydeFEMA No. 3646DTXSID80296062JZ2B60W76NSC-149164DTXCID509606CHEBI:15825RefChem:884868

REACTIONS

相关反应

121 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723649

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05731475

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uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05424311

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uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05622954

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uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05622954

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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 (9/10) · 10.1039/C8SC04228D

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

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