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Substance Name: Propanoic acid, 3-(2-hydroxy-5-(1-oxopropyl)phenoxy)-
RN: 137150-49-3
InChIKey: IWFMBEADTWZVJP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-O5

Molecular Weight

  • 238.2376
 
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Names and Synonyms

Synonym

  • 3-(2-Hydroxy-5-(1-oxopropyl)phenoxy)propanoic acid

Systematic Name

  • Propanoic acid, 3-(2-hydroxy-5-(1-oxopropyl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 137150-49-3

System Generated Number

  • 0137150493

Structure Descriptors

InChI

1S/C12H14O5/c1-2-9(13)8-3-4-11(10(14)7-8)17-6-5-12(15)16/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)

InChIKey

IWFMBEADTWZVJP-UHFFFAOYSA-N

Smiles

CCC(=O)c1ccc(c(c1)O)OCCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 442, 1991.