uspto-grants-1979_07 · 10.6084/m9.figshare.5104873.v1 · US04162246
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(OCC1CO1)c1ccccc1C(=O)OCC1CO1
- InChIKey
- JRPRCOLKIYRSNH-UHFFFAOYSA-N
- 分子式
- C14H14O6
- 平均分子量
- 278.26 g/mol
- 单同位素质量
- 278.07903816
COMPUTED
结构计算性质
- XLogP
- 1.1
- 极性表面积
- 77.7 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 8
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 346
GHS
GHS分类
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H350 (100%): May cause cancer [Danger Carcinogenicity];H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P333+P317, P337+P317, P362+P364, 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
Regulatory Information
Status: Active Update: 21-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26593
Hazard Classes and Categories
Acute Tox. 4 (100%);Skin Sens. 1A (100%);Eye Irrit. 2 (100%);Muta. 2 (100%);Carc. 1B (100%);Repr. 1B (100%)
REGULATORY
法规信息
Regulatory Information
Status: Active Update: 21-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26593
ALIASES
名称与别名
REACTIONS