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Substance Name: Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-
RN: 29941-93-3
InChIKey: WYKLBLPNIRXWNC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-O4

Molecular Weight

  • 250.292
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-(4-(1-oxobutyl)phenoxy)propanoic acid
  • BRN 2054980

Systematic Name

  • Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 29941-93-3

System Generated Number

  • 0029941933

Structure Descriptors

InChI

1S/C14H18O4/c1-4-5-12(15)10-6-8-11(9-7-10)18-14(2,3)13(16)17/h6-9H,4-5H2,1-3H3,(H,16,17)

InChIKey

WYKLBLPNIRXWNC-UHFFFAOYSA-N

Smiles

C(C(C)(Oc1ccc(cc1)C(CCC)=O)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1600mg/kg (1600mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 885, 1976.