HCID68110

Chromanone

2,3-dihydrochromen-4-one

C9H8O2148.16 g/molCAS 491-37-2

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IDENTITY

结构与身份

标准SMILES: O=C1CCOc2ccccc21
InChIKey: MSTDXOZUKAQDRL-UHFFFAOYSA-N
分子式: C9H8O2
平均分子量: 148.16 g/mol
单同位素质量: 148.05242949

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: 165

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 66 条

4-Chromanone491-37-2Chromanone4H-1-Benzopyran-4-one, 2,3-dihydro-2,3-dihydrochromen-4-oneDTXSID3060081RefChem:98630DTXCID1040667CHEBI:38763207-736-3Chroman-4-one2,3-Dihydro-1-benzopyran-4-one2,3-Dihydro-4H-chromen-4-one3,4-dihydro-2H-1-benzopyran-4-oneMFCD000068401341-36-22,3-DIHYDRO-4H-1-BENZOPYRAN-4-ONEIsochromanoneEINECS 207-736-3dihydrochromone

REACTIONS

参与反应

161 条

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04148909

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07425631B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846762B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846762B2

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

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