Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2H-Pyran-2-one,5,6-dihydro-4-hydroxy-6-methyl-3-(1-oxohexyl)-
91089-98-4 structure

2H-Pyran-2-one,5,6-dihydro-4-hydroxy-6-methyl-3-(1-oxohexyl)-

Iupac Name:3-[(4-chlorophenyl)hydrazinylidene]piperidin-2-one
CAS No.:91089-98-4
EINECS(EC#): 617-177-0
Molecular Weight:237.687
Molecular Formula:C11H8BRNO2 (isomer)
Names and Identifiers
Synonyms

2h-pyran-2-one, 5,6-dihydro-4-hydroxy-6-methyl-3-(1-oxohexyl)- 2H-Pyran-2-one,3-hexanoyl-5,6-dihydro-4-hydroxy-6-methyl- (8CI) 3-esanoil-5,6-diidro-4-idrossi-6-metil-2h-pyran-2-one 3-esanoil-5,6-diidro-4-idrossi-6-metil-2h-pyran-2-one [italian] 3-hexanoyl-5,6-dihydro-4-hydroxy-6-methyl-2h-pyran-2-one brn 1285283 LS-127429

Inchi
InChI=1S/C11H12ClN3O/c12-8-3-5-9(6-4-8)14-15-10-2-1-7-13-11(10)16/h3-6,14H,1-2,7H2,(H,13,16)
InChkey
CLMKXPFKQHSMCA-UHFFFAOYSA-N
Canonical Smiles
C1CC(=NNC2=CC=C(C=C2)Cl)C(=O)NC1
Properties
Density
1.323
Boiling Point
407.1°C at 760 mmHg
Flash Point
267.3°C
Computational chemical data
  • Molecular Weight:237.687g/mol
  • Molecular Formula:C11H8BRNO2
  • Compound Is Canonicalized:True
  • Exact Mass:237.067
  • Monoisotopic Mass:237.067
  • Complexity:285
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:53.5A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzIAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgIYAAAACArBkCQwwILiAACo ASVyUACSBAAgBwAYiIE4ZogIIDKBk5GEIABgngCIyAcYAQAAAABAAAAAAAAAAIAAAAAAAAAAAAAA AA==
 
<