uspto-grants-1993_06 · 10.6084/m9.figshare.5104873.v1 · US05219848
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IDENTITY
结构与身份
- 标准SMILES
- COc1cc(C)c(C=O)cc1OC
- InChIKey
- RMIZEUOAFVZZJG-UHFFFAOYSA-N
- 分子式
- C10H12O3
- 平均分子量
- 180.2 g/mol
- 单同位素质量
- 180.07864424
COMPUTED
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 35.5 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 170
GHS
GHS分类
GHS Classification
Warning
H302 (100%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
ALIASES
名称与别名
4,5-Dimethoxy-2-methylbenzaldehyde7721-62-2WX979Y8NW7EINECS 231-759-8NSC-109346DTXSID30227965NSC 109346Benzaldehyde, 4,5-dimethoxy-2-methyl-RefChem:96514DTXCID80150456231-759-84,5-Dimethoxy-2-methyl-benzaldehydeMFCD00094433NSC1093466-MethylveratraldehydeUNII-WX979Y8NW7SCHEMBL1494078ALBB-036676HAA72162BBL025901
REACTIONS
