IDENTITY
结构与身份
- 标准 SMILES
- O=C1CC(c2ccccc2)CO1
- InChIKey
- YFNSPPHTAARSPD-UHFFFAOYSA-N
- 分子式
- C10H10O2
- 平均分子量
- 162.18 g/mol
- 单同位素质量
- 162.06807956
COMPUTED
结构计算性质
- XLogP
- 1.6
- 极性表面积
- 26.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 171
GHS
GHS 分类
GHS Classification
Warning
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. 5 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)
ALIASES
名称与别名
REACTIONS
参与反应
当前筛选下没有反应记录。