HCID7318

5-Nitrosalicylic acid

2-hydroxy-5-nitrobenzoic acid

C7H5NO5183.12 g/molCAS 96-97-9

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1O
InChIKey: PPDRLQLKHRZIJC-UHFFFAOYSA-N
分子式: C7H5NO5
平均分子量: 183.12 g/mol
单同位素质量: 183.01677226

COMPUTED

结构计算性质

等待补全

XLogP: 2.3
极性表面积: 103 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 223

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 71 条

5-Nitrosalicylic acid2-Hydroxy-5-nitrobenzoic acid96-97-9Anilotic acidBenzoic acid, 2-hydroxy-5-nitro-5-Nitro-2-hydroxybenzoic acidSalicylic acid, 5-nitro-82L9G7FYZ3NSC 183NSC-183EINECS 202-548-8AI3-08840DTXSID2059142CHEBI:61281EC 202-548-85-NITROSALICYLIC ACID [MI]MESALAZINE IMPURITY N [EP IMPURITY]MESALAZINE IMPURITY N (EP IMPURITY)Salicylic acid, 5nitroRefChem:537460

REACTIONS

参与反应

65 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855833B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822685B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835430B2

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

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uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07557210B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748597B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08097759B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08097759B2

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