HRID34959
uspto-grants-1988_08
作为反应物
uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04764525
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- COC(=O)c1ccc(OC)cc1O
- InChIKey
- ZICRWXFGZCVTBZ-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
- XLogP
- 2.4
- 极性表面积
- 55.8 Ų
- 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
Methyl 4-methoxysalicylate5446-02-6DTXSID00202860EINECS 226-657-5NSC 17154RefChem:816512DTXCID30125351226-657-5InChI=1/C9H10O4/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5,10H,1-2HMethyl 2-hydroxy-4-methoxybenzoateBenzoic acid, 2-hydroxy-4-methoxy-, methyl ester2-Hydroxy-4-methoxybenzoic Acid Methyl EsterMFCD00008424Methyl-4-methoxysalicylate2-hydroxy-4-methoxy-benzoic acid methyl estermethyl 2-hydroxy-4-methoxy-benzoateNSC-171544-Methoxysalicylic Acid Methyl EsterMethyl 2-Hydroxy-p-anisateSCHEMBL294143
REACTIONS
参与反应
HRID34962
uspto-grants-1988_08
作为反应物
uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04764525
查看条件与参与物HRID108124
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID159734
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID195149
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID199998
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID270065
uspto-grants-2008_11
作为反应物
uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07449475B2
查看条件与参与物HRID290875
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看条件与参与物