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
- Cc1ccc(CC(=O)O)o1
- InChIKey
- TZRHDOORWZCBGT-UHFFFAOYSA-N
- 分子式
- C7H8O3
- 平均分子量
- 140.14 g/mol
- 单同位素质量
- 140.04734411
COMPUTED
结构计算性质
- XLogP
- 0.9
- 极性表面积
- 50.4 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 133
物化、安全与法规信息正在同步。
ALIASES
名称与别名
2-(5-methylfuran-2-yl)acetic acid72360-04-42-Furanacetic acid, 5-methyl-UNII-9V9Q31641I9V9Q31641INSC-403249DTXSID70222676NSC 403249RefChem:87212DTXCID00145167828-305-15-methyl-2-Furanacetic acidMFCD15832917(5-methylfuran-2-yl)acetic acidNSC4032495-Methylfuran-2-acetic Acid5-methyl furan-2-acetic acidSCHEMBL3191339TZRHDOORWZCBGT-UHFFFAOYSA-N2-(5-methyl-2-furyl)acetic acid
REACTIONS
参与反应
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