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Substance Name: 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, ethyl ester
RN: 14731-78-3
InChIKey: PTMOFMXIIKUMTA-GQCTYLIASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-O4

Molecular Weight

  • 220.223
 
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Names and Synonyms

Synonyms

  • 3-(1,3-Benzodioxol-5-yl)-2-propenoic acid ethyl ester
  • AI3-02256

Systematic Name

  • 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 14731-78-3

System Generated Number

  • 0014731783

Structure Descriptors

InChI

1S/C12H12O4/c1-2-14-12(13)6-4-9-3-5-10-11(7-9)16-8-15-10/h3-7H,2,8H2,1H3/b6-4+

InChIKey

PTMOFMXIIKUMTA-GQCTYLIASA-N

Smiles

c12c(OCO1)ccc(\C=C\C(=O)OCC)c2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 948mg/kg (948mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 551, 1988.