Methyl 1-Cyanocyclopropanecarboxylate 1-氰基环丙烷羧酸甲酯

CAS 6914-73-4 MFCD09033250

化学结构图

6914-73-4
SMILES: COC(=O)C1(C#N)CC1

化学属性

Mol. FormulaC6H7NO2
Mol. Weight125.13
Melting PointOil (°C)
Boiling Point92 °C at 18 mmHg

别名和识别编码

Chemical NameMethyl 1-Cyanocyclopropanecarboxylate
CAS Number6914-73-4
Alfabeta NameMETHYLCYANOCYCLOPROPANECARBOXYLATE 1-
MDL NumberMFCD09033250
Chemical Name Translation1-氰基环丙烷羧酸甲酯
LabNetwork Molecule IDLN00149080
PubChem Substance ID353030
InChIInChI=1S/C6H7NO2/c1-9-5(8)6(4-7)2-3-6/h2-3H2,1H3
Synonym Methyl 1-cyanocyclopropanecarboxylate {LY} Methyl 1-cyanocyclopropanecarboxylate {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {} {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {} {} {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {} {} {} {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {} {} {} {} {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 1-cyanocyclopropanecarboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 1-cyanocycl
Canonical SMILESO=C(OC)C1(C#N)CC1
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分类

  • {KO} Nitriles
  • {KO} Esters

安全信息

Warnings IRRITANT
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
0
H-bond Acceptors
3
Rotatable Bonds
2
LogP
6.133000000000000e-001

系列性分类

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