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Substance Name: Hydrocinnamic acid, alpha,beta-dimethyl-
RN: 19731-91-0
InChIKey: NRYIIIVJCVRSSH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Synonym

  • alpha,beta-Dimethyl-hydrocinnamic acid

Systematic Name

  • Hydrocinnamic acid, alpha,beta-dimethyl-

Registry Numbers

CAS Registry Number

  • 19731-91-0

System Generated Number

  • 0019731910

Structure Descriptors

InChI

1S/C11H14O2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,12,13)

InChIKey

NRYIIIVJCVRSSH-UHFFFAOYSA-N

Smiles

c1([C@@H]([C@@H](C(O)=O)C)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1210mg/kg (1210mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.