HCID67396922

methyl (1RS,3RS,4RS)-3-methoxy-4-(nitrooxy)cyclopentanecarboxylate

methyl 3-methoxy-4-nitrooxycyclopentane-1-carboxylate

C8H13NO6219.19 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C1CC(OC)C(O[N+](=O)[O-])C1
InChIKey: IKKWATDDFNOMRH-UHFFFAOYSA-N
分子式: C8H13NO6
平均分子量: 219.19 g/mol
单同位素质量: 219.07428713

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 90.6 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 4
重原子: 15
形式电荷: 0
复杂度: 250

ALIASES

名称与别名

共 5 条

SCHEMBL2410551IKKWATDDFNOMRH-UHFFFAOYSA-Nmethyl (1RS,3RS,4RS)-3-methoxy-4-(nitrooxy)cyclopentanecarboxylatemethyl (1RS,3RS,4SR)-3-methoxy-4-(nitrooxy)cyclopentanecarboxylatemethyl (1RS,3SR,4RS)-3-methoxy-4-(nitrooxy)cyclopentanecarboxylate

REACTIONS

相关反应

7 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530521B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530521B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530521B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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

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