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Substance Name: 1,3-Benzodioxole-2-acetic acid, 2-methyl-
RN: 4442-72-2
InChIKey: KBBSSMZKVMEGDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-O4

Molecular Weight

  • 194.185
 
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Names and Synonyms

Synonyms

  • 2-Methyl-1,3-benzodioxole-2-acetic acid
  • 4-19-00-03531 (Beilstein Handbook Reference)
  • BRN 0147052

Systematic Name

  • 1,3-Benzodioxole-2-acetic acid, 2-methyl-

Registry Numbers

CAS Registry Number

  • 4442-72-2

System Generated Number

  • 0004442722

Structure Descriptors

InChI

1S/C10H10O4/c1-10(6-9(11)12)13-7-4-2-3-5-8(7)14-10/h2-5H,6H2,1H3,(H,11,12)

InChIKey

KBBSSMZKVMEGDK-UHFFFAOYSA-N

Smiles

C1(CC(O)=O)(Oc2ccccc2O1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.