HCID59004641

6-Nitro-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-indole

3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-nitro-1H-indole

C16H16N2O4300.31 g/mol

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IDENTITY

结构与身份

标准SMILES: O=[N+]([O-])c1ccc2c(C3=CCC4(CC3)OCCO4)c[nH]c2c1
InChIKey: MQWGYXCBKCLDOB-UHFFFAOYSA-N
分子式: C16H16N2O4
平均分子量: 300.31 g/mol
单同位素质量: 300.111007

COMPUTED

结构计算性质

等待补全

XLogP: 2.3
极性表面积: 80.1 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 22
形式电荷: 0
复杂度: 481

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 9 条

6-Nitro-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-indole954387-24-73-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-nitro-1H-indoleMFCD28098697SCHEMBL2269484MQWGYXCBKCLDOB-UHFFFAOYSA-NF4711983-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-6-nitroindole6-Nitro-3-(1,4-dioxaspiro[4,5]dec-7-en-8-yl)-1H-indole

REACTIONS

参与反应

2 条

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

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uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US07989447B2

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