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Substance Name: 1-Hexen-3-one, 1-(1,3-benzodioxol-5-yl)- (9CI)
RN: 56750-94-8
InChIKey: JZZYAPMXSFSFKU-GQCTYLIASA-N

Molecular Formula

  • C13-H14-O3

Molecular Weight

  • 218.251
 
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Names and Synonyms

Synonyms

  • 1-(3,4-Methylenedioxyphenyl)-1-hexen-3-one
  • 4-19-00-01764 (Beilstein Handbook Reference)
  • BRN 0015460

Systematic Names

  • 1-Hexen-3-one, 1-(1,3-benzodioxol-5-yl)- (9CI)
  • 1-Hexen-3-one, 1-(3,4-methylenedioxyphenyl)-

Registry Numbers

CAS Registry Number

  • 56750-94-8

System Generated Number

  • 0056750948

Structure Descriptors

InChI

1S/C13H14O3/c1-2-3-11(14)6-4-10-5-7-12-13(8-10)16-9-15-12/h4-8H,2-3,9H2,1H3/b6-4+

InChIKey

JZZYAPMXSFSFKU-GQCTYLIASA-N

Smiles

c12c(ccc(c1)\C=C\C(CCC)=O)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2253503,