HCID26861

Ethyl 4-oxo-4H-1-benzopyran-2-carboxylate

ethyl 4-oxochromene-2-carboxylate

C12H10O4218.2 g/molCAS 14736-31-3

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1cc(=O)c2ccccc2o1
InChIKey: CJVFJZNWXDFXHF-UHFFFAOYSA-N
分子式: C12H10O4
平均分子量: 218.2 g/mol
单同位素质量: 218.0579088

COMPUTED

结构计算性质

等待补全

XLogP: 2.3
极性表面积: 52.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 332

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 39 条

14736-31-3Ethyl 4-oxo-4H-1-benzopyran-2-carboxylate4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 4-OXO-, ETHYL ESTERDTXSID80163687RefChem:1084959DTXCID1086178238-797-4Ethyl 4-oxo-4H-chromene-2-carboxylateethyl 4-oxochromene-2-carboxylate2-(Ethoxycarbonyl)chromoneChromone-2-carboxylic acid ethyl ester4-Oxo-4H-1-benzopyran-2-carboxylic acid ethyl esterEthyl chromone-2-carboxylateMFCD00250077CHEMBL164781ethyl4-oxo-4H-chromene-2-carboxylateEthylchromone-2-carboxylateEINECS 238-797-4BRN 0178173Maybridge3_001728

REACTIONS

参与反应

7 条

uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06756403B2

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uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06756403B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2005_06 · 10.6084/m9.figshare.5104873.v1 · US06903227B2

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uspto-grants-2005_06 · 10.6084/m9.figshare.5104873.v1 · US06903227B2

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uspto-grants-1999_11 · 10.6084/m9.figshare.5104873.v1 · US05990142

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uspto-grants-1999_11 · 10.6084/m9.figshare.5104873.v1 · US05990142

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