1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-4-methyl-

CAS 2726-44-5 MFCD02726445

化学结构图

2726-44-5
SMILES: CC(C)C(=O)C=Cc1ccc2c(c1)OCO2

化学属性

Mol. FormulaC13H14O3
Mol. Weight218.27

别名和识别编码

Chemical Name1-Penten-3-one, 4-methyl-1-(3,4-methylenedioxyphenyl)-
Chemicalbook IDCB12359259
Synonym 4-Methyl-1-(3,4-methylenedioxyphenyl)-1-penten-3-one 1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-4-methyl-
Wiswesser Line NotationT56 BO DO CHJ G1U1VY1&1
CAS Number2726-44-5
Beilstein Registry Number0015219
InChIKeyADEXKEAIUZGTEJ-HWKANZROSA-N
PubChem Substance ID6444513
InChIInChI=1S/C13H14O3/c1-9(2)11(14)5-3-10-4-6-12-13(7-10)16-8-15-12/h3-7,9H,8H2,1-2H3/b5-3+
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安全信息

RTECSSB4214000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 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: 13,41,1978

系列性分类

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