HCID287308

Methyl 3-methoxy-4-nitrobenzoate

C9H9NO5211.17 g/molCAS 5081-37-8

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc([N+](=O)[O-])c(OC)c1
InChIKey: PVVFEPFLFHDHHK-UHFFFAOYSA-N
分子式: C9H9NO5
平均分子量: 211.17 g/mol
单同位素质量: 211.04807239

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 81.4 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 249

ALIASES

名称与别名

共 25 条

Methyl 3-methoxy-4-nitrobenzoate5081-37-8MFCD000519673-Methoxy-4-nitrobenzoic acid methyl esterBenzoic acid, 3-methoxy-4-nitro-, methyl esterBenzoic acid, 5-methoxy-4-nitro-, methyl(ester)methyl3-methoxy-4-nitrobenzoateNSC147082SCHEMBL310574orb3144107DTXSID80301880methyl 3-methoxy-4-nitro-benzoateALBB-035782SBB064680TYD-03446AKOS005072817CS-W015063FA-0711FM66884NSC-147082

REACTIONS

参与反应

39 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 (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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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07179819B2

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uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06756378B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093239B2

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