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Substance Name: Acetic acid, 5-isobutoxy-m-tolyl-
RN: 51028-86-5
InChIKey: HMFYDQKPYBXSOE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-O3

Molecular Weight

  • 222.282
 
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Names and Synonyms

Synonyms

  • 5-Isobutoxy-m-tolylacetic acid
  • BRN 2101665

Systematic Name

  • Acetic acid, 5-isobutoxy-m-tolyl-

Registry Numbers

CAS Registry Number

  • 51028-86-5

System Generated Number

  • 0051028865

Structure Descriptors

InChI

1S/C13H18O3/c1-9(2)8-16-12-5-10(3)4-11(6-12)7-13(14)15/h4-6,9H,7-8H2,1-3H3,(H,14,15)

InChIKey

HMFYDQKPYBXSOE-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)C)OCC(C)C)CC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1001mg/kg (1001mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 709, 1977.