HCID2826618

3-Ethoxy-4-(2-hydroxyanilino)cyclobut-3-ene-1,2-dione

C12H11NO4233.22 g/molCAS 282093-41-8

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IDENTITY

结构与身份

标准SMILES: CCOc1c(Nc2ccccc2O)c(=O)c1=O
InChIKey: HDKRZXDIYXUOPS-UHFFFAOYSA-N
分子式: C12H11NO4
平均分子量: 233.22 g/mol
单同位素质量: 233.06880783

COMPUTED

结构计算性质

等待补全

XLogP: 1.5
极性表面积: 75.6 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 4
重原子: 17
形式电荷: 0
复杂度: 375

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 13 条

3-ethoxy-4-(2-hydroxyanilino)cyclobut-3-ene-1,2-dione282093-41-8DTXSID90385095RefChem:279011DTXCID40336118MLS000850664SCHEMBL6106261CHEMBL1405896HDKRZXDIYXUOPS-UHFFFAOYSA-NHMS2800I09CCG-249669SMR0004566813-ethoxy-4-(2-hydroxyanilino)-cyclobut-3-ene-1,2-dione

REACTIONS

相关反应

22 条

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 (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 (6/10) · 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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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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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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