Methyl 2-(2-Methoxy-2-Oxoethyl)Benzoate 2-(2-甲氧基-2-氧代乙基)苯甲酸甲酯

CAS 716-43-8 MFCD11053807

化学结构图

716-43-8
SMILES: COC(=O)Cc1ccccc1C(=O)OC

化学属性

Mol. FormulaC11H12O4
Mol. Weight208.21
Melting Point54.8-56.2 °C
Boiling Point110-113 °C at 0.6 mmHg

别名和识别编码

Chemical NameMethyl 2-(2-Methoxy-2-Oxoethyl)Benzoate
CAS Number716-43-8
Alfabeta NameMETHYLMETHOXYOXOETHYLBENZENECARBOXYLATE 222()----
MDL NumberMFCD11053807
Chemical Name Translation2-(2-甲氧基-2-氧代乙基)苯甲酸甲酯
LabNetwork Molecule IDLN00148975
PubChem Substance ID253507
InChIInChI=1S/C11H12O4/c1-14-10(12)7-8-5-3-4-6-9(8)11(13)15-2/h3-6H,7H2,1-2H3
Synonym Methyl 2-(2-methoxy-2-oxoethyl)benzoate {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {} {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {} {} {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {} {} {} {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-(2-methoxy-2-oxoethyl)benzoate {} {} {} {} {} {} {} {} {} {} {} {}
Canonical SMILESO=C(OC)C1=CC=CC=C1CC(OC)=O
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分类

  • {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
5
H-bond Donors
0
LogP
1

系列性分类


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