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Home> Encyclopedia > Hot Product Listed 2   > 2(3H)-Furanone,5-butyldihydro-4-methyl-
928822-80-4 structure

2(3H)-Furanone,5-butyldihydro-4-methyl-

Iupac Name:2-fluoro-5-phenylpyridine
CAS No.:928822-80-4
Molecular Weight:173.19
Molecular Formula:C7H4CLNS2 (isomer)
Names and Identifiers
Synonyms

3-Methyl-4-octanolide b-Methyl-g-octalactone Oaklactone

Inchi
InChI=1S/C11H8FN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
InChkey
XLFZEKLTTBHSEM-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C2=CN=C(C=C2)F
Properties
Density
1.09
Flash Point
64.9°C
Computational chemical data
  • Molecular Weight:173.19g/mol
  • Molecular Formula:C7H4CLNS2
  • Compound Is Canonicalized:True
  • Exact Mass:173.064
  • Monoisotopic Mass:173.064
  • Complexity:154
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:12.9A^2
  • Heavy Atom Count:13
  • 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: AAADccByAQAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHQAAAAAADADBGgw8gJIIEACg AjBnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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