Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1ccc(NC(C)=O)cc1OC
- InChIKey
- OERVVBDWGVOBIS-UHFFFAOYSA-N
- 分子式
- C11H13NO4
- 平均分子量
- 223.22 g/mol
- 单同位素质量
- 223.0844579
COMPUTED
结构计算性质
- XLogP
- 1.2
- 极性表面积
- 64.6 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 267
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 1.8% (1 of 56) of reports.
Warning
H302 (96.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (23.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (73.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 56 reports by companies.；There are 5 notifications provided by 55 of 56 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
Status: Active Update: 06-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18302
Hazard Classes and Categories
Acute Tox. 4 (96.4%)；Skin Irrit. 2 (23.2%)；Eye Irrit. 2 (73.2%)
REGULATORY
法规信息
Regulatory Information
Status: Active Update: 06-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18302
ALIASES
名称与别名
4093-29-2methyl 4-(acetylamino)-2-methoxybenzoateMethyl 4-(acetylamino)-o-anisateW4UJW899BABenzoic acid, 4-(acetylamino)-2-methoxy-, methyl esterEINECS 223-839-6METOCLOPRAMIDE IMPURITY D [EP IMPURITY]METOCLOPRAMIDE IMPURITY D (EP IMPURITY)RefChem:815968223-839-6Methyl 4-acetamido-2-methoxybenzoateMethyl4-acetamido-2-methoxybenzoateMetoclopramide EP Impurity DMethyl 4-acetamido-o-anisateMFCD00065258DTXSID7057739MetocloprDmide EP Impurity DUNII-W4UJW899BA4-acetamido-2-methoxybenzoic acid methyl esterMethyl 4-Acetamido-2-Methoxy-Benzoate
REACTIONS
