HCID4056967

Methyl 3-hydroxy-4-methoxybenzoate

C9H10O4182.17 g/molCAS 6702-50-7

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(OC)c(O)c1
InChIKey: QXOXUEFXRSIYSW-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: 1.8
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 44 条

Methyl 3-hydroxy-4-methoxybenzoate6702-50-7DTXSID70398845RefChem:815500DTXCID00349704627-549-4Methyl isovanillateMethyl 3-hydroxy-4-methoxybenzenecarboxylate3-hydroxy-4-methoxybenzoic acid methyl esterMFCD01321262Methyl-3-hydroxy-4-methoxybenzoateMethyl 3-hydroxy-4-methoxy-benzoateIsovanillic Acid Methyl EsterBenzoic acid, 3-hydroxy-4-methoxy-, methyl esterisovamllic acid methyl esterSCHEMBL57367orb1680232CHEMBL2252125SCHEMBL29497236ALBB-013961

REACTIONS

参与反应

137 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 (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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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207331B2

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uspto-grants-1993_05 · 10.6084/m9.figshare.5104873.v1 · US05208247

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