HCID607739

(3-nitro-2-oxopyridin-1(2H)-yl)acetic acid

2-(3-nitro-2-oxo-1-pyridinyl)acetic acid

C7H6N2O5198.13 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)Cn1cccc([N+](=O)[O-])c1=O
InChIKey: KHEKZKBMUAPJPS-UHFFFAOYSA-N
分子式: C7H6N2O5
平均分子量: 198.13 g/mol
单同位素质量: 198.0276713

COMPUTED

结构计算性质

已同步

XLogP: 0
极性表面积: 103 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: 352

ALIASES

名称与别名

共 31 条

147283-78-12-(3-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetic acid(3-nitro-2-oxopyridin-1(2H)-yl)acetic acidMFCD027528902-[3-nitro-2-oxo-1(2H)-pyridinyl]acetic acid2-(3-nitro-2-oxopyridin-1-yl)acetic acid2-(3-Nitro-2-oxopyridin-1(2H)-yl)acetic acid2-(3-nitro-2-oxo-1,2-dihydropyridin-1-yl)aceticacid2-(3-nitro-2-oxohydropyridyl)acetic acid2-[3-Nitro-2-oxopyridin-1(2H)-yl]acetic AcidOprea1_454868SCHEMBL7234130XFA28378SBB012655STK677774AKOS001749408AT20011ST038480SY3557662-(3-nitro-2-oxo-1-pyridyl)acetic acid

REACTIONS

相关反应

4 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434763B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434763B2

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

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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