HCID68535

2-Butynoic acid

but-2-ynoic acid

C4H4O284.07 g/molCAS 590-93-2

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IDENTITY

结构与身份

标准SMILES: CC#CC(=O)O
InChIKey: LUEHNHVFDCZTGL-UHFFFAOYSA-N
分子式: C4H4O2
平均分子量: 84.07 g/mol
单同位素质量: 84.02112937

COMPUTED

结构计算性质

等待补全

XLogP: 0.8
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 6
形式电荷: 0
复杂度: 112

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 56 条

2-Butynoic acid590-93-2but-2-ynoic acidTetrolic acid1-Propynecarboxylic acid3-Methylpropiolic acidW3AM9ANZ22NSC-174116DTXSID4060444RefChem:468156DTXCID6042521209-695-7MFCD000043632-butynoicacidbutynoic acid2-Butynoic acid, 98%Tetrolsaure2-butynic acid2-butylnoic acidEINECS 209-695-7

REACTIONS

参与反应

117 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434697B2

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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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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-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06355636B1

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uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06355636B1

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