HCID538804

Methyl 3-hydroxypentanoate

C6H12O3132.16 g/molCAS 56009-31-5

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IDENTITY

结构与身份

标准SMILES: CCC(O)CC(=O)OC
InChIKey: XHFXKKFVUDJSPJ-UHFFFAOYSA-N
分子式: C6H12O3
平均分子量: 132.16 g/mol
单同位素质量: 132.07864424

COMPUTED

结构计算性质

已同步

XLogP: 0.3
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 9
形式电荷: 0
复杂度: 90

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1540；1552

ALIASES

名称与别名

共 19 条

Methyl 3-hydroxypentanoate56009-31-5DTXSID70337118RefChem:157493DTXCID602882063-Hydroxyvaleric acid methyl esterPentanoic acid, 3-hydroxy-, methyl ester(?)-Methyl (R)-3-hydroxyvalerateMethyl3-hydroxypentanoatemethyl-3-hydroxy-pentanoateMethyl 3-hydroxypentanoate #SCHEMBL322745MFCD18973046SB45308SB84502DA-04874DB-072855C15994EN300-1826464

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 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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uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09250238B2

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

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