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Substance Name: Mandelic acid, alpha-cyclobutyl-, methyl ester
RN: 1209-31-0
InChIKey: YXPHFWYCSAYUAB-UHFFFAOYSA-N

Molecular Formula

  • C13-H16-O3

Molecular Weight

  • 220.266
 
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Names and Synonyms

Synonyms

  • alpha-Cyclobutylmandelic acid methyl ester
  • BRN 1974125
  • Methyl cyclobutylphenyl glycollate
  • RTECS OV5572000

Systematic Name

  • Mandelic acid, alpha-cyclobutyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 1209-31-0

System Generated Number

  • 0001209310

Structure Descriptors

InChI

1S/C13H16O3/c1-16-12(14)13(15,11-8-5-9-11)10-6-3-2-4-7-10/h2-4,6-7,11,15H,5,8-9H2,1H3

InChIKey

YXPHFWYCSAYUAB-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(OC)=O)O)CCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03825,