HCID139539

Salicylic acid, 4-nitro-, methyl ester

methyl 2-hydroxy-4-nitrobenzoate

C8H7NO5197.14 g/molCAS 13684-28-1

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc([N+](=O)[O-])cc1O
InChIKey: DODUOCYKSQVFSW-UHFFFAOYSA-N
分子式: C8H7NO5
平均分子量: 197.14 g/mol
单同位素质量: 197.03242232

COMPUTED

结构计算性质

等待补全

XLogP: 2.7
极性表面积: 92.4 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 236

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 26 条

13684-28-1Salicylic acid, 4-nitro-, methyl esterDTXSID10159972RefChem:1098316DTXCID3082463methyl 2-hydroxy-4-nitrobenzoateMethyl 4-nitrosalicylateBenzoic acid, 2-hydroxy-4-nitro-, methyl esterMFCD11041295methyl 2-hydroxy-4-nitro-benzoateMethyl4-NitrosalicylateNSC1656052-hydroxy-4-nitrobenzoic acid methyl esterSCHEMBL19117AKOS006307565NSC 165605NSC-165605Methyl 2-hydroxy-4-nitrobenzoate, 97%AC-29560AS-39607

REACTIONS

参与反应

28 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427390B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427390B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07563894B2

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uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04591584

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uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04591584

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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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