Dimethyl 2-(4-Nitrophenyl)Malonate 2-(4-硝基苯基)丙二酸二甲酯

CAS 4033-88-9 MFCD03425806

化学结构图

4033-88-9
SMILES: COC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC11H11NO6
Mol. Weight253.21
Melting Point125-127°C

别名和识别编码

Chemical NameDimethyl 2-(4-Nitrophenyl)Malonate
CAS Number4033-88-9
Alfabeta NameDIMETHYLNITROPHENYLMALONATE 24()--
MDL NumberMFCD03425806
Chemical Name Translation2-(4-硝基苯基)丙二酸二甲酯
PubChem Substance ID2764303
InChIInChI=1S/C11H11NO6/c1-17-10(13)9(11(14)18-2)7-3-5-8(6-4-7)12(15)16/h3-6,9H,1-2H3
LabNetwork Molecule IDLN00147986
Synonym Dimethyl 2-(4-nitrophenyl)malonate {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {} {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {} {} {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {} {} {} {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {} {} {} {} {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl 2-(4-nitrophenyl)malonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl 2-(4-nitrophen
Canonical SMILESCOC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC
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分类

  • {KO} Nitros
  • {KO} Esters

安全信息

Warnings IRRITANT
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
6
Rotatable Bonds
5
H-bond Donors
0
LogP
1

系列性分类

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