Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CCOc1ccc(C(=O)OC)cc1OC
- InChIKey
- HVLQOCXAZMSAPT-UHFFFAOYSA-N
- 分子式
- C11H14O4
- 平均分子量
- 210.23 g/mol
- 单同位素质量
- 210.08920892
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 44.8 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 5
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 205
PROPERTIES
实验与物化性质
Kovats Retention Index
1520
ALIASES
名称与别名
Methyl 4-ethoxy-3-methoxybenzoate3535-24-8Benzoic acid, 4-ethoxy-3-methoxy-, methyl ester4-ethoxy-3-methoxybenzoic acid methyl esterSCHEMBL1015707Methyl4-ethoxy-3-methoxybenzoateMethyl 3-methoxy-4-ethoxybenzoatemethyl 4-ethoxy-3-methoxy-benzoateMethyl 4-ethoxy-3-methoxybenzoate #MFCD06203685AKOS016997099HS-3198DB-209366E89851F098780
REACTIONS
参与反应
uspto-grants-1999_12 · 10.6084/m9.figshare.5104873.v1 · US06002008
查看uspto-grants-1999_12 · 10.6084/m9.figshare.5104873.v1 · US06002008
查看uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09320739B2
查看uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09320739B2
查看Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08969587B2
查看uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08969587B2
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