HCID317668

Ethyl 3-methyl-1,2-oxazole-4-carboxylate

C7H9NO3155.15 g/molCAS 20328-15-8

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1conc1C
InChIKey: AEWHICNMVQOWJE-UHFFFAOYSA-N
分子式: C7H9NO3
平均分子量: 155.15 g/mol
单同位素质量: 155.05824315

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 52.3 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 11
形式电荷: 0
复杂度: 149

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

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, 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

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 30 条

ethyl 3-methyl-1,2-oxazole-4-carboxylateDTXSID10312161RefChem:595009DTXCID10263285991-905-820328-15-8ethyl 3-methylisoxazole-4-carboxylateETHYL 3-METHYL-ISOXAZOLE-4-CARBOXYLATE4-Isoxazolecarboxylic acid, 3-methyl-, ethyl esterMFCD010757363-METHYLISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTERETHYL3-METHYLISOXAZOLE-4-CARBOXYLATENSC-250960NSC2509607VJ8CD6HCHSCHEMBL1639502SCHEMBL5410864AEWHICNMVQOWJE-UHFFFAOYSA-Nethyl 3-methyl-4-isoxazolecarboxylateAKOS005207241

REACTIONS

参与反应

3 条

uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06316479B1

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uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06649635B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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