6-Methoxy-2H-chromene-3-carbonitrile 6-甲氧基-2H-色烯-3-甲腈

CAS 57543-71-2 MFCD00202032

化学结构图

57543-71-2
SMILES: COC1=CC2C=C(COC=2C=C1)C#N

化学属性

Mol. FormulaC11H9NO2
Mol. Weight187
Melting Point75°

别名和识别编码

Chemical Name6-methoxy-2H-chromene-3-carbonitrile
CAS Number57543-71-2
Alfabeta NameMETHOXYCHROMENECARBONITRILE H623-----
MDL NumberMFCD00202032
Synonym 6-Methoxy-2H-1-benzopyran-3-carbonitrile
Wiswesser Line NotationT66 BO CHJ DCN HO1
Beilstein Registry Number1370658
Chemical Name Translation6-甲氧基-2H-色烯-3-甲腈
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分类

  • {KO} Nitriles

安全信息

Warnings IRRITANT
RTECSDJ2185000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 11,81,1976

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

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