2-Phenylheptanoic acid

CAS 5558-47-4 MFCD N/A

化学结构图

5558-47-4
SMILES: CCCCCC(C(=O)O)c1ccccc1

化学属性

Mol. Weight206.31
Mol. FormulaC13H18O2

别名和识别编码

Wiswesser Line NotationQVY5&R
Chemical NameHeptanoic acid, 2-phenyl-
Synonym Benzeneacetic acid, alpha-pentyl- 2-Phenylheptanoic acid
CAS Number5558-47-4
InChIKeyLHDANYVMYMTDHJ-UHFFFAOYSA-N
PubChem Substance ID21717
InChIInChI=1S/C13H18O2/c1-2-3-5-10-12(13(14)15)11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10H2,1H3,(H,14,15)
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安全信息

RTECSMJ2299500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 278 mg/kg
TOXIC EFFECTS :
   Biochemical - Metabolism (Intermediary) - effect on inflammation or
   mediation of inflammation
REFERENCE :
   IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including
   Medicinal Chemistry. (Publications & Information Directorate, Council of
   Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012,
   India)  V.14B-    1976-  Volume(issue)/page/year: 17,496,1979

系列性分类

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