HCID32786

Benzoic acid, 3,5-dimethyl-, methyl ester

methyl 3,5-dimethylbenzoate

C10H12O2164.2 g/molCAS 25081-39-4

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(C)cc(C)c1
InChIKey: PEVXENGLERTHJE-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: 2.5
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: 155

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

224.31

ALIASES

名称与别名

共 30 条

25081-39-4Benzoic acid, 3,5-dimethyl-, methyl esterDTXSID90179774RefChem:1079049DTXCID50102265METHYL 3,5-DIMETHYLBENZOATEMFCD000779713,5-dimethylbenzoic acid methyl ester3,5-DIMETHYL-BENZOIC ACID METHYL ESTERMethyl-3,5-dimethylbenzoatemethyl-3,5-dimethyl-benzoateSCHEMBL334346SCHEMBL4200023SCHEMBL6891495CHEMBL2252111SCHEMBL16959792Methyl 3,5-dimethylbenzoate, 98%Methyl 3 pound not5-dimethylbenzoateAKOS008904378CS-W022816

REACTIONS