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Home> Hot Product Listed 2   > 2(3H)-Furanone,4-ethyldihydro-3-hydroxy-4-methyl-5-(1-methylpropyl)-(9CI)
185302-86-7 structure

2(3H)-Furanone,4-ethyldihydro-3-hydroxy-4-methyl-5-(1-methylpropyl)-(9CI)

Iupac Name:methyl 3-(2-fluorophenyl)-3-oxopropanoate
CAS No.:185302-86-7
Molecular Weight:196.177
Molecular Formula:C13H16N2O (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H9FO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChkey
HVFIYFIBZJWQAE-UHFFFAOYSA-N
Canonical Smiles
COC(=O)CC(=O)C1=CC=CC=C1F
Properties
Density
1.12
Computational chemical data
  • Molecular Weight:196.177g/mol
  • Molecular Formula:C13H16N2O
  • Compound Is Canonicalized:True
  • Exact Mass:196.054
  • Monoisotopic Mass:196.054
  • Complexity:227
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:43.4A^2
  • Heavy Atom Count:14
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBwMQAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwAAAAAADASAmAoyCIAABACI AqDSCAACAAAkAAAIiAEAAMgIIDaIFRCAIQAkoAAIiYeIyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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