2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile 2-羰基-4-苯基-2,5-二氢-3-呋喃甲腈

CAS 7692-89-9 MFCD00100132

化学结构图

7692-89-9
SMILES: N#CC1=C(c2ccccc2)COC1=O

化学属性

Mol. FormulaC11H7NO2
Mol. Weight185.18
Melting Point165-167 °C

别名和识别编码

Chemical Name2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile
CAS Number7692-89-9
Alfabeta NameOXOPHENYLDIHYDROFURANCARBONITRILE 24253-------,
MDL NumberMFCD00100132
Chemical Name Translation2-羰基-4-苯基-2,5-二氢-3-呋喃甲腈
Synonym 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {} {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {} {} {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {} {} {} {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {} {} {} {} {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {} {} {} {} {} {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {} {} {} {} {} {} {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile {} {} {} {} {} {} {} {
PubChem Substance ID2825069
LabNetwork Molecule IDLN00148283
InChIInChI=1S/C11H7NO2/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5H,7H2
Canonical SMILESC1=CC=C(C=C1)C2=C(C#N)C(=O)OC2
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分类

  • {KO} Nitriles
  • {SNA} Building Blocks, C10 to C27, C11, Chemical Synthesis, Cyanides/Nitriles, Ethers, Nitrogen Compounds, Organic Building Blocks, Oxygen Compounds

安全信息

Warnings IRRITANT
WGK Germany3
Storage condition

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
1
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C10 to C27 - Cyanides/Nitriles

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