HCID79523

Methyl 4-methoxysalicylate

methyl 2-hydroxy-4-methoxybenzoate

C9H10O4182.17 g/molCAS 5446-02-6

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(OC)cc1O
InChIKey: ZICRWXFGZCVTBZ-UHFFFAOYSA-N
分子式: C9H10O4
平均分子量: 182.17 g/mol
单同位素质量: 182.0579088

COMPUTED

结构计算性质

等待补全

XLogP: 2.4
极性表面积: 55.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 13
形式电荷: 0
复杂度: 180

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 47 条

Methyl 4-methoxysalicylate5446-02-6DTXSID00202860EINECS 226-657-5NSC 17154RefChem:816512DTXCID30125351226-657-5InChI=1/C9H10O4/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5,10H,1-2HMethyl 2-hydroxy-4-methoxybenzoateBenzoic acid, 2-hydroxy-4-methoxy-, methyl ester2-Hydroxy-4-methoxybenzoic Acid Methyl EsterMFCD00008424Methyl-4-methoxysalicylate2-hydroxy-4-methoxy-benzoic acid methyl estermethyl 2-hydroxy-4-methoxy-benzoateNSC-171544-Methoxysalicylic Acid Methyl EsterMethyl 2-Hydroxy-p-anisateSCHEMBL294143

REACTIONS

参与反应

52 条

uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04764525

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uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04764525

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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 (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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uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04703053

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uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07449475B2

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