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Substance Name: Benzeneacetic acid, alpha-(1-methylethylidene)- (9CI)
RN: 4412-08-2
InChIKey: FDUUZPAQWRCHOZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-O2

Molecular Weight

  • 176.214
 
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Names and Synonyms

Synonyms

  • 3-Methyl-2-phenyl-crotonic acid
  • 4-09-00-02086 (Beilstein Handbook Reference)
  • beta,beta-Dimethylatropic acid
  • BRN 1937711

Systematic Names

  • Benzeneacetic acid, alpha-(1-methylethylidene)- (9CI)
  • Crotonic acid, 3-methyl-2-phenyl-

Registry Numbers

CAS Registry Number

  • 4412-08-2

System Generated Number

  • 0004412082

Structure Descriptors

InChI

1S/C11H12O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13)

InChIKey

FDUUZPAQWRCHOZ-UHFFFAOYSA-N

Smiles

c1(\C(=C(\C)C)C(O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1700mg/kg (1700mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.