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Substance Name: 1-Hexyn-3-one, 1-phenyl-
RN: 14252-32-5
InChIKey: IWKSKCKEZMYXLD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-O

Molecular Weight

  • 172.226
 
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Names and Synonyms

Synonyms

  • 1-Phenyl-1-hexyn-3-one
  • 3-07-00-01656 (Beilstein Handbook Reference)
  • BRN 2208758

Systematic Name

  • 1-Hexyn-3-one, 1-phenyl-

Registry Numbers

CAS Registry Number

  • 14252-32-5

System Generated Number

  • 0014252325

Structure Descriptors

InChI

1S/C12H12O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6H2,1H3

InChIKey

IWKSKCKEZMYXLD-UHFFFAOYSA-N

Smiles

C(#CC(CCC)=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 103, 1981.