Ethyl 3-(2-Furyl)-3-Oxopropanoate 3-(2-呋喃基)-3-氧代丙酸乙酯

CAS 615-09-8 MFCD00122473

化学结构图

615-09-8
SMILES: CCOC(=O)CC(=O)c1ccco1

化学属性

Mol. FormulaC9H10O4
Mol. Weight182.17
Boiling Point84 °C at 760 mmHg
Melting PointBP: 114 @ 2mm Hg

别名和识别编码

Chemical NameEthyl 3-(2-Furyl)-3-Oxopropanoate
CAS Number615-09-8
Alfabeta NameETHYLFURYLOXOPROPANOATE 323()----
MDL NumberMFCD00122473
Synonym Ethyl 3-(2-furyl)-3-oxopropanoate {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {} {} {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {} {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {} {} {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-(2-furyl)-3-oxopropa
Chemical Name Translation3-(2-呋喃基)-3-氧代丙酸乙酯
PubChem Substance ID2759240
LabNetwork Molecule IDLN00146655
InChIInChI=1S/C9H10O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
Canonical SMILESO=C(OCC)CC(C1=CC=CO1)=O
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分类

  • {SNA} Building Blocks, C8 to C11, Chemical Synthesis, Furans, Heterocyclic Building Blocks
  • {KO} Ketones
  • {KO} Esters
  • {KO} Dicarbonyls13

安全信息

Warnings IRRITANT
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Hazard Codes Xi
WGK Germany3
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 5
Y
H-bond Acceptors
4
Rotatable Bonds
5
H-bond Donors
0
LogP
5.371000000000000e-001

其他信息

  • Acros Organics:3-(2-糠基)-3-氧丙酸乙酯 ethyl 3-(2-furyl)-3-oxopropanoate(615-09-8)
  • Hazard Note:Irritant
  • MOL 文件:615-09-8.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Furans 呋喃
  5. C8 to C11 - Furans

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