HCID2172

3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C8H9NO5199.16 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)C1C(=CCO)OC2CC(=O)N21
InChIKey: HZZVJAQRINQKSD-UHFFFAOYSA-N
分子式: C8H9NO5
平均分子量: 199.16 g/mol
单同位素质量: 199.04807239

COMPUTED

结构计算性质

已同步

XLogP: -1.2
极性表面积: 87.1 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 324

ALIASES

名称与别名

共 7 条

3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylate3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylateRefChem:273735SCHEMBL2497054MB01537

REACTIONS

参与反应

5 条

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 (6/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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