HCID273300

Methyl 2,5-dimethylbenzoate

C10H12O2164.2 g/molCAS 13730-55-7

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(C)ccc1C
InChIKey: YILVOENZHZWHHK-UHFFFAOYSA-N
分子式: C10H12O2
平均分子量: 164.2 g/mol
单同位素质量: 164.08372962

COMPUTED

结构计算性质

已同步

XLogP: 3.1
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: 12
形式电荷: 0
复杂度: 165

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1287；219.41

ALIASES

名称与别名

共 28 条

Methyl 2,5-dimethylbenzoate13730-55-7Benzoic acid, 2,5-dimethyl-, methyl ester2,5-Dimethylbenzoic acid methyl esterMFCD06203655NSC-118435methyl p-methyltoluate2,5-DIMETHYL-BENZOIC ACID METHYL ESTERMethyl-(2,5-dimethyl)benzoateSCHEMBL1170022SCHEMBL6893999SCHEMBL9578781SCHEMBL16245919SCHEMBL30364839DTXSID00297837KJ66P79G66METHYL-2,5-DIMETHYLBENZOATENSC118435AKOS002392967FD67731

REACTIONS