Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1N
- InChIKey
- YZOWMIHUDJVXBH-UHFFFAOYSA-N
- 分子式
- C15H23NO6
- 平均分子量
- 313.35 g/mol
- 单同位素质量
- 313.15253745
COMPUTED
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 89.2 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 11
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 314
HAZARDS
危害信息
Regulatory Information
Status: Cease Manufacture Update: 30-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/5160
REGULATORY
法规信息
Regulatory Information
Status: Cease Manufacture Update: 30-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/5160
ALIASES
名称与别名
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367824B2
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uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08969587B2
查看uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08969587B2
查看