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Substance Name: Mandelic acid, alpha-isopropenyl-, 1-methyl-4-pyridyl ester
RN: 92956-13-3
InChIKey: YIXLGEYTLLIJSR-UHFFFAOYSA-N

Molecular Formula

  • C17-H23-N-O3

Molecular Weight

  • 289.373
 
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Names and Synonyms

Synonym

  • alpha-Isopropenylmandelic acid 1-methyl-4-pyridyl ester

Systematic Name

  • Mandelic acid, alpha-isopropenyl-, 1-methyl-4-pyridyl ester

Registry Numbers

CAS Registry Number

  • 92956-13-3

System Generated Number

  • 0092956133

Structure Descriptors

InChI

1S/C17H23NO3/c1-13(2)17(20,14-7-5-4-6-8-14)16(19)21-15-9-11-18(3)12-10-15/h4-8,15,20H,1,9-12H2,2-3H3

InChIKey

YIXLGEYTLLIJSR-UHFFFAOYSA-N

Smiles

c1([C@@](C(OC2CCN(C)CC2)=O)(C(C)=C)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11433,