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Substance Name: 2-Hexenoic acid, 3-propyl-
RN: 59117-27-0
InChIKey: LMCKTTNJLDJGTQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-O2

Molecular Weight

  • 156.2234
 
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Names and Synonyms

Synonyms

  • 3-02-00-01350 (Beilstein Handbook Reference)
  • 3-Propyl-2-hexenoic acid
  • BRN 1757979

Systematic Name

  • 2-Hexenoic acid, 3-propyl-

Registry Numbers

CAS Registry Number

  • 59117-27-0

System Generated Number

  • 0059117270

Structure Descriptors

InChI

1S/C9H16O2/c1-3-5-8(6-4-2)7-9(10)11/h7H,3-6H2,1-2H3,(H,10,11)

InChIKey

LMCKTTNJLDJGTQ-UHFFFAOYSA-N

Smiles

CCCC(=CC(=O)O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 453, 1975.