uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091192B1
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(CCCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
- InChIKey
- ZWIBGKZDAWNIFC-UHFFFAOYSA-N
- 分子式
- C16H20N2O8
- 平均分子量
- 368.34 g/mol
- 单同位素质量
- 368.1219656
COMPUTED
结构计算性质
- XLogP
- -0.1
- 极性表面积
- 127 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 11
- 重原子
- 26
- 形式电荷
- 0
- 复杂度
- 544
GHS
GHS分类
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
HAZARDS
危害信息
Hazard Classes and Categories
Acute Tox. 4 (100%);Acute Tox. 4 (100%);Acute Tox. 4 (100%)
ALIASES
名称与别名
REACTIONS
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