HCID4678093

Decanoic acid, ion(1-)

decanoate

C10H19O2-171.26 g/molCAS 3398-75-2

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IDENTITY

结构与身份

标准SMILES: CCCCCCCCCC(=O)[O-]
InChIKey: GHVNFZFCNZKVNT-UHFFFAOYSA-M
分子式: C10H19O2-
平均分子量: 171.26 g/mol
单同位素质量: 171.13850485

COMPUTED

结构计算性质

已同步

XLogP: 4.7
极性表面积: 40.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 7
重原子: 12
形式电荷: -1
复杂度: 105

ALIASES

名称与别名

共 24 条

Decanoic acid, ion(1-)3398-75-2RefChem:336752decanoatecapratecaprinaten-decanoatecaprynatedecoatedecylaten-capraten-decoaten-decylate1-nonanecarboxylatedecanoate, 2nC9H19CO2 anion3nq33u9qBDBM23433CHEBI:27689

REACTIONS

相关反应

5 条

uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08981180B2

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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 (1/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 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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