HCID69803

Diethyl acetylenedicarboxylate

diethyl but-2-ynedioate

C8H10O4170.16 g/molCAS 762-21-0

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C#CC(=O)OCC
InChIKey: STRNXFOUBFLVIN-UHFFFAOYSA-N
分子式: C8H10O4
平均分子量: 170.16 g/mol
单同位素质量: 170.0579088

COMPUTED

结构计算性质

等待补全

XLogP: 1.5
极性表面积: 52.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 12
形式电荷: 0
复杂度: 208

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 56 条

Diethyl acetylenedicarboxylate762-21-0Diethyl 2-butynedioateDTXSID20227055RefChem:587117DTXCID20149546212-095-8diethyl but-2-ynedioate2-Butynedioic acid, diethyl ester1,4-diethyl but-2-ynedioateDiethyl acetylene dicarboxylateMFCD00009186Acetylenedicarboxylic acid, diethyl esterdiethyl butynedioateBis-(Ethoxycarbonyl)acetyleneDi-Ethyl acetylenedicarboxylateNSC-67975Diethylacetylenedicarboxylatediethylacetylene dicarboxylateWLN: 2OV1UU1VO2

REACTIONS

参与反应

95 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419969B2

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uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04130649

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835411B2

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

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uspto-grants-1981_03 · 10.6084/m9.figshare.5104873.v1 · US04254121

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uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642603B2

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uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07456178B2

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uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05270309

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