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Substance Name: Hexanoic acid, 2-acetyl-3-oxo-, ethyl ester
RN: 63765-76-4
InChIKey: ADNFJNFZZOQJKK-UHFFFAOYSA-N

Molecular Formula

  • C10-H16-O4

Molecular Weight

  • 200.232
 
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Names and Synonyms

Synonyms

  • 2-Acetyl-3-oxohexanoic acid ethyl ester
  • AI3-19311

Systematic Name

  • Hexanoic acid, 2-acetyl-3-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 63765-76-4

System Generated Number

  • 0063765764

Structure Descriptors

InChI

1S/C10H16O4/c1-4-6-8(12)9(7(3)11)10(13)14-5-2/h9H,4-6H2,1-3H3

InChIKey

ADNFJNFZZOQJKK-UHFFFAOYSA-N

Smiles

C([C@@H](C(OCC)=O)C(C)=O)(CCC)=O

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. 6, Pg. 221, 1954.