HCID323

Coumarin

chromen-2-one

C9H6O2146.14 g/molCAS 91-64-5

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IDENTITY

结构与身份

标准SMILES: O=c1ccc2ccccc2o1
InChIKey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
分子式: C9H6O2
平均分子量: 146.14 g/mol
单同位素质量: 146.03677943

COMPUTED

结构计算性质

等待补全

XLogP: 1.4
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 196

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 222 条

coumarin91-64-52H-Chromen-2-one2H-1-Benzopyran-2-onecumarin1,2-Benzopyronechromen-2-oneTonka bean camphorRattexCoumarinic anhydrideCoumarinecis-o-Coumarinic acid lactoneCoumarinic lactoneo-Hydroxycinnamic acid lactoneBenzo-alpha-pyrone5,6-Benzo-2-pyroneo-Hydroxycinnamic lactone2-Oxo-1,2-benzopyranKumarin2H-Benzo(b)pyran-2-one

REACTIONS

参与反应

72 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091235B2

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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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uspto-grants-1993_05 · 10.6084/m9.figshare.5104873.v1 · US05212269

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uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07452859B2

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

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

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

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