CAS 3199-61-9 MFCD03094950-Ethyl Benzofuran-2-carboxylate 苯并呋喃-2-羧酸乙酯 TAO{mole}

Ethyl Benzofuran-2-carboxylate 苯并呋喃-2-羧酸乙酯

CAS 3199-61-9 MFCD03094950

化学结构图

SMILES: CCOC(=O)c1cc2ccccc2o1

化学属性

Mol. Formula	C11H10O3
Mol. Weight	190.20
Boiling Point	274°C at 760 mmHg
Melting Point	29-34 °C

别名和识别编码

Chemical Name	Ethyl Benzofuran-2-Carboxylate
CAS Number	3199-61-9
Alfabeta Name	ETHYLBENZOFURANCARBOXYLATE 12---
MDL Number	MFCD03094950
Synonym	Ethyl coumarilate {LY} Ethyl coumarilate {} {LY} Ethyl coumarilate {} {} {LY} Ethyl coumarilate {} {} {} {LY} Ethyl coumarilate {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl coumarilate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl coumarilate
Chemical Name Translation	苯并呋喃-2-羧酸乙酯
PubChem Substance ID	641368
LabNetwork Molecule ID	LN00150397
InChI	InChI=1S/C11H10O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3
Canonical SMILES	O=C(C1=CC2=CC=CC=C2O1)OCC

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安全信息

Warnings IRRITANT

WGK Germany3

Hazard Codes T

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP

其他信息

MOL 文件:3199-61-9.mol
Hazard Note:Irritant
上游原料:乙醚 --> 碳酸钾 --> 氢化钠 --> 二甲基亚砜 --> 丙二酸二乙酯 --> 2-丁酮 --> 2-羟基苯甲醛 --> 溴化铜
检测方法:HPLC,NMR,MS