HCID21086184

Methyl 3-(hydroxymethyl)-5-methylbenzoate

C10H12O3180.2 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(C)cc(CO)c1
InChIKey: MCZNYOXYIJCDQV-UHFFFAOYSA-N
分子式: C10H12O3
平均分子量: 180.2 g/mol
单同位素质量: 180.07864424

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 13
形式电荷: 0
复杂度: 179

ALIASES

名称与别名

共 10 条

Methyl 3-(hydroxymethyl)-5-methylbenzoate105578-30-13-hydroxymethyl-5-methylbenzoic acid methyl esterSCHEMBL2161045SCHEMBL16952182MCZNYOXYIJCDQV-UHFFFAOYSA-NDA-32823methyl 3-(hydroxymethyl)-5-methyl-benzoateH59081METHYL 3-HYDROXYMETHYL-5-METHYLBENZOATE

REACTIONS