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Substance Name: 2-Isoxazolin-5-one, 4-benzylidene-3-methyl-
RN: 16430-09-4
InChIKey: KNHMTOFSFRMLRQ-YFHOEESVSA-N

Molecular Formula

  • C11-H9-N-O2

Molecular Weight

  • 187.197
 
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Names and Synonyms

Synonyms

  • 4-Benzylidene-3-methyl-2-isoxazolin-5-one
  • AI3-16029

Systematic Names

  • 2-Isoxazolin-5-one, 4-benzylidene-3-methyl-
  • 5(4H)-Isoxazolone, 3-methyl-4-(phenylmethylene)-

Registry Numbers

CAS Registry Number

  • 16430-09-4

System Generated Number

  • 0016430094

Structure Descriptors

InChI

1S/C11H9NO2/c1-8-10(11(13)14-12-8)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7-

InChIKey

KNHMTOFSFRMLRQ-YFHOEESVSA-N

Smiles

C1(\C(=NOC1=O)C)=C\c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 9, Pg. 130, 1957.