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Home> Hot Product Listed 1   > 1,4-pentanedione, 1-(3,4-difluorophenyl)-
541-98-0 structure

1,4-pentanedione, 1-(3,4-difluorophenyl)-

Iupac Name:6-methylpyran-2,4-dione
CAS No.:541-98-0
Molecular Weight:126.111
Molecular Formula:C15H17CLO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2H,3H2,1H3
InChkey
GYHBVAHWGBJKHA-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=O)CC(=O)O1
Properties
Refractive Index
1.486
Computational chemical data
  • Molecular Weight:126.111g/mol
  • Molecular Formula:C15H17CLO2
  • Compound Is Canonicalized:True
  • Exact Mass:126.032
  • Monoisotopic Mass:126.032
  • Complexity:191
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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