Mandelic acid, alpha-cyclobutyl-, methyl ester 2-环丁基-2-羟基-2-苯基乙酸甲酯

CAS 1209-31-0 MFCD01209310

化学结构图

1209-31-0
SMILES: COC(=O)C(O)(c1ccccc1)C1CCC1

化学属性

Mol. Weight220.26
Mol. FormulaC13H16O3

别名和识别编码

Chemical NameMandelic acid, alpha-cyclobutyl-, methyl ester
Chemicalbook IDCB42183466
Synonym Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {} {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {} {} {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {} {} {} {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {} {} {} {} {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {} {} {} {} {} {} {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {} {} {} {} {} {} {} {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyclobutyl-2-hydro
Wiswesser Line NotationL4TJ AXQR&VO1
Beilstein Registry Number1974125
CAS Number1209-31-0
InChIKeyYXPHFWYCSAYUAB-UHFFFAOYSA-N
Chemical Name Translation2-环丁基-2-羟基-2-苯基乙酸甲酯
LabNetwork Molecule IDLN01751034
PubChem Substance ID14583
InChIInChI=1S/C13H16O3/c1-16-12(14)13(15,11-8-5-9-11)10-6-3-2-4-7-10/h2-4,6-7,11,15H,5,8-9H2,1H3
MDL NumberMFCD00039442
Canonical SMILESCOC(=O)C(C1=CC=CC=C1)(C2CCC2)O
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安全信息

RTECSOO6600000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#03825

Storage condition

系列性分类

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