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Substance Name: Butanoic acid, 3-oxo-, 2-chloroethyl ester
RN: 54527-68-3
InChIKey: JAEUQHNZRROYID-UHFFFAOYSA-N

Molecular Formula

  • C6-H9-Cl-O3

Molecular Weight

  • 164.587
 
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Names and Synonyms

Synonyms

  • 2-Chloroethyl 3-oxobutanoate
  • 2-Chloroethyl acetoacetate
  • AI3-08979

Systematic Name

  • Butanoic acid, 3-oxo-, 2-chloroethyl ester

Registry Numbers

CAS Registry Number

  • 54527-68-3

System Generated Number

  • 0054527683

Structure Descriptors

InChI

1S/C6H9ClO3/c1-5(8)4-6(9)10-3-2-7/h2-4H2,1H3

InChIKey

JAEUQHNZRROYID-UHFFFAOYSA-N

Smiles

O=C(OCCCl)CC(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 198 deg C   EXP
log P (octanol-water) 0.050 (none)   EST
Atmospheric OH Rate Constant 1.29E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.