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Substance Name: Heptanoic acid, 2-phenyl-
RN: 5558-47-4
InChIKey: LHDANYVMYMTDHJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-O2

Molecular Weight

  • 206.283
 
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Names and Synonyms

Synonyms

  • 2-Phenylheptanoic acid
  • Benzeneacetic acid, alpha-pentyl-

Systematic Name

  • Heptanoic acid, 2-phenyl-

Registry Numbers

CAS Registry Number

  • 5558-47-4

System Generated Number

  • 0005558474

Structure Descriptors

InChI

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)

InChIKey

LHDANYVMYMTDHJ-UHFFFAOYSA-N

Smiles

c1([C@@H](CCCCC)C(O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 278mg/kg (278mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 17, Pg. 496, 1979.