HRID479928
uspto-grants-2003_11
作为反应物
uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06649230B1
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CCCCCc1ccc(C(=O)O)cc1
- InChIKey
- CWYNKKGQJYAHQG-UHFFFAOYSA-N
- 分子式
- C12H16O2
- 平均分子量
- 192.25 g/mol
- 单同位素质量
- 192.11502975
COMPUTED
结构计算性质
- XLogP
- 4.5
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 5
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 169
物化、安全与法规信息正在同步。
ALIASES
名称与别名
4-Pentylbenzoic acidBenzoic acid, 4-pentyl-4-n-Pentylbenzoic acid4-Amylbenzoic acidp-Pentylbenzoic acidp-Amylbenzoic acidPara-Pentylbenzoic acidBENZOIC ACID, p-PENTYL-p-n-pentylbenzoic acidNSC 169024ET3KL92DDGEINECS 247-607-9BRN 2044798p-n-Amylbenzoic acidUNII-ET3KL92DDGNSC-169024DTXSID60672003-09-00-02551 (Beilstein Handbook Reference)pAmylbenzoic acid4Amylbenzoic acid
REACTIONS
参与反应
HRID664430
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看条件与参与物HRID689374
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看条件与参与物HRID693414
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看条件与参与物HRID828068
Test data from https://doi.org/10.1039/C8SC04228D
作为反应物
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物HRID900023
uspto-grants-2008_04
作为反应物
uspto-grants-2008_04 · 10.6084/m9.figshare.5104873.v1 · US07357964B2
查看条件与参与物HRID1004531
uspto-grants-2000_04
作为反应物
uspto-grants-2000_04 · 10.6084/m9.figshare.5104873.v1 · US06051288
查看条件与参与物HRID1198315
uspto-grants-1994_01
作为反应物
uspto-grants-1994_01 · 10.6084/m9.figshare.5104873.v1 · US05279764
查看条件与参与物