HCID11124

Methyl propionate

methyl propanoate

C4H8O288.11 g/molCAS 554-12-1

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IDENTITY

结构与身份

标准SMILES: CCC(=O)OC
InChIKey: RJUFJBKOKNCXHH-UHFFFAOYSA-N
分子式: C4H8O2
平均分子量: 88.11 g/mol
单同位素质量: 88.05242949

COMPUTED

结构计算性质

等待补全

XLogP: 0.8
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 6
形式电荷: 0
复杂度: 49

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 79 条

METHYL PROPIONATE554-12-1Methyl propylatePropionate de methyleFEMA No. 2742FEMA Number 2742Methyl Propionate (natural)NSC 9375HSDB 5688EINECS 209-060-4UNII-NB21C0D33WBRN 1737628NB21C0D33WAI3-10621NSC-93754-02-00-00704 (Beilstein Handbook Reference)RefChem:6027209-060-4Methyl propanoatePropanoic acid, methyl ester

REACTIONS

参与反应

86 条

uspto-grants-1982_08 · 10.6084/m9.figshare.5104873.v1 · USRE031010

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08828992B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-1981_03 · 10.6084/m9.figshare.5104873.v1 · US04256913

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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 (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 (6/10) · 10.1039/C8SC04228D

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