Benzoic acid, 4-(allyloxy)-3,5-dimethyl-

CAS 7192-39-4 MFCD N/A

化学结构图

7192-39-4
SMILES: C=CCOc1c(C)cc(C(=O)O)cc1C

化学属性

Mol. FormulaC12H14O3
Mol. Weight206.26

别名和识别编码

Wiswesser Line NotationQVR C1 E1 DO2U1
Chemical NameBenzoic acid, 4-(allyloxy)-3,5-dimethyl-
Synonym 4-Allyloxy-3,5-dimethylbenzoic acid
CAS Number7192-39-4
Beilstein Registry Number2694212
InChIKeyBJPBXFYIWSDQPA-UHFFFAOYSA-N
PubChem Substance ID23581
InChIInChI=1S/C12H14O3/c1-4-5-15-11-8(2)6-10(12(13)14)7-9(11)3/h4,6-7H,1,5H2,2-3H3,(H,13,14)
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安全信息

RTECSDG0997000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMPCAS Journal of Medicinal and Pharmaceutical Chemistry.  (Washington, DC)
   V.1-5, 1959-62.  For publisher information, see JMCMAR.
   Volume(issue)/page/year: 2,201,1960

系列性分类

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