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Substance Name: 1-Propanone, 1-(1,3-benzodioxol-5-yl)-
RN: 28281-49-4
InChIKey: RVBJGSPBFIUTTR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-O3

Molecular Weight

  • 178.186
 
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Names and Synonyms

Synonyms

  • 1-(1,3-Benzodioxol-5-yl)-1-propanone
  • AI3-31258
  • EC 248-937-6
  • EINECS 248-937-6
  • NSC 29484

Systematic Names

  • 1-(1,3-Benzodioxol-5-yl)propan-1-one
  • 1-Propanone, 1-(1,3-benzodioxol-5-yl)-
  • Propiophenone, 3',4'-(methylenedioxy)- (8CI)

Registry Numbers

CAS Registry Number

  • 28281-49-4

System Generated Number

  • 0028281494

Structure Descriptors

InChI

1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3

InChIKey

RVBJGSPBFIUTTR-UHFFFAOYSA-N

Smiles

c12cc(C(=O)CC)ccc1OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2150mg/kg (2150mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 341, 1987.