1-Bicyclo(4.2.0)octa-1,3,5-trien-7-yl-1-pentanone

CAS 6809-93-4 MFCD06809934

化学结构图

6809-93-4
SMILES: CCCCC(=O)C1Cc2ccccc21

化学属性

Mol. Weight188.29
Mol. FormulaC13H16O

别名和识别编码

Wiswesser Line NotationL46T&J BV4
Chemical NameKetone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl butyl
Synonym Bicyclo(4.2.0)octa-1,3,5-triene, 7-valeryl- Pentanone, 1-benzocyclobutyl- 1-Benzocyclobutenyl n-butyl ketone 1-Pentanone, 1-bicyclo(4.2.0)octa-1,3,5-trien-7-yl- 1-Bicyclo(4.2.0)octa-1,3,5-trien-7-yl-1-pentanone
Beilstein Registry Number2094084
CAS Number6809-93-4
InChIKeyXCLXRGHHJAIZOY-UHFFFAOYSA-N
PubChem Substance ID23246
InChIInChI=1S/C13H16O/c1-2-3-8-13(14)12-9-10-6-4-5-7-11(10)12/h4-7,12H,2-3,8-9H2,1H3
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安全信息

RTECSOB1228150 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 550 mg/kg
TOXIC EFFECTS :
   Behavioral - excitement
   Behavioral - muscle weakness
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 9,656,1966

系列性分类

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