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Substance Name: Propanoic acid, 2-methyl-2-(4-(1-oxopropyl)phenoxy)-
RN: 42019-01-2
InChIKey: DECOEVQNIFPJIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O4

Molecular Weight

  • 236.2654
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-(4-(1-oxopropyl)phenoxy)propanoic acid
  • BRN 1976668

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42019-01-2

System Generated Number

  • 0042019012

Structure Descriptors

InChI

1S/C13H16O4/c1-4-11(14)9-5-7-10(8-6-9)17-13(2,3)12(15)16/h5-8H,4H2,1-3H3,(H,15,16)

InChIKey

DECOEVQNIFPJIC-UHFFFAOYSA-N

Smiles

CCC(=O)c1ccc(cc1)OC(C)(C)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.