Diethyl 4-methoxybenzalmalonate 二乙基

CAS 6768-23-6 MFCD00182557

化学结构图

6768-23-6
SMILES: CCOC(=O)C(=Cc1ccc(OC)cc1)C(=O)OCC

化学属性

Mol. FormulaC15H18O5
Mol. Weight278.30
Boiling Point156-158 °C at 0.1 mmHg
Melting PointBP: 156 - 158 @ 0.1mm Hg

别名和识别编码

Chemical NameDiethyl 2-(4-methoxybenzylidene)malonate
CAS Number6768-23-6
Alfabeta NameDIETHYLMETHOXYPHENYLMETHYLENEMALONATE 24[]()--
MDL NumberMFCD00182557
EC Number229-827-7
Synonym Diethyl 2-(4-methoxybenzylidene)malonate {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {} {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {} {} {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {} {} {} {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {} {} {} {} {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {} {} {} {} {} {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(4-methoxybenzylidene)malonate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(4-methoxybenzylidene
Chemical Name Translation二乙基
InChIKeyKUBLMWHFTKNBHL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00146210
PubChem Substance ID81238
InChIInChI=1S/C15H18O5/c1-4-19-14(16)13(15(17)20-5-2)10-11-6-8-12(18-3)9-7-11/h6-10H,4-5H2,1-3H3
Canonical SMILESCCOC(=O)C(=CC1=CC=C(C=C1)OC)C(=O)OCC
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分类

  • {KO} Esters

安全信息

Warnings IRRITANT
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P312
  • P301+P317
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
5
Rotatable Bonds
9
H-bond Donors
0
LogP
2

系列性分类

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