HCID6584

Methyl Acetate

C3H6O274.08 g/molCAS 79-20-9

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IDENTITY

结构与身份

标准SMILES: COC(C)=O
InChIKey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
分子式: C3H6O2
平均分子量: 74.08 g/mol
单同位素质量: 74.03677943

COMPUTED

结构计算性质

等待补全

XLogP: 0.2
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 5
形式电荷: 0
复杂度: 40

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 107 条

METHYL ACETATE79-20-9DevotonTeretonMethyl ethanoateAcetic acid, methyl esterAcetic acid methyl esterMethylacetatMethylacetaatAcetate de methyleMethyl acetic esterOctan metyluMetile (acetato di)Methyle (acetate de)Methylester kiseliny octoveEthyl ester of monoacetic acidFEMA No. 2676DTXSID4021767Methyl ester of acetic acidW684QT396F

REACTIONS

参与反应

345 条

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04724039

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uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04725606

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uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04725689

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098221B2

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uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04147864

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07420066B2

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uspto-grants-1982_08 · 10.6084/m9.figshare.5104873.v1 · US04343942

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

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