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Substance Name: 1'-Oxosafrole
RN: 30418-53-2
InChIKey: LNOUMTOCQWMBOJ-UHFFFAOYSA-N

Note

  • Metabolite of safrole.

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H8-O3

Molecular Weight

  • 176.17
 
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Names and Synonyms

Name of Substance

  • 1'-Oxosafrole

Synonyms

  • 1'-Oxosafrole
  • 3',4'-(Methylenedioxy)acrylophenone
  • BRN 4180990

Systematic Names

  • 2-Propen-1-one, 1-(1,3-benzodioxol-5-yl)-
  • Acrylophenone, 3',4'-(methylenedioxy)- (8CI)

Registry Numbers

CAS Registry Number

  • 30418-53-2

System Generated Number

  • 0030418532

Structure Descriptors

InChI

1S/C10H8O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h2-5H,1,6H2

InChIKey

LNOUMTOCQWMBOJ-UHFFFAOYSA-N

Smiles

C(C=C)(=O)c1cc2OCOc2cc1