HCID538972

2-Acetylimidazole

1-(1H-imidazol-2-yl)ethanone

C5H6N2O110.11 g/molCAS 53981-69-4

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IDENTITY

结构与身份

标准SMILES: CC(=O)c1ncc[nH]1
InChIKey: OSMJIXXVEWORDJ-UHFFFAOYSA-N
分子式: C5H6N2O
平均分子量: 110.11 g/mol
单同位素质量: 110.04801282

COMPUTED

结构计算性质

等待补全

XLogP: 0.1
极性表面积: 45.8 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 8
形式电荷: 0
复杂度: 103

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 29 条

53981-69-42-acetylimidazoleDTXSID70337133RefChem:1062091DTXCID602882211-(1h-imidazol-2-yl)ethanone2-Acetyl-1H-imidazole1-(1H-Imidazol-2-yl)-ethanoneMFCD09878742Ethanone, 1-(1H-imidazol-2-yl)-1-(1H-imidazol-2-yl)ethan-1-oneacetyl imidazoleSCHEMBL98748SCHEMBL738628SCHEMBL4681529SCHEMBL5305977SCHEMBL10941407SCHEMBL21295441ALBB-0217081-(1H-imidazol-2-yl)-1-ethanone

REACTIONS

参与反应

30 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835464B2

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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 (6/10) · 10.1039/C8SC04228D

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uspto-grants-1989_07 · 10.6084/m9.figshare.5104873.v1 · US04845228

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872014B2

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

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08053456B2

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uspto-grants-1989_04 · 10.6084/m9.figshare.5104873.v1 · US04824952

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