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Home> Encyclopedia > Hot Product Listed 5   > 5H-Benz[d]indeno[4,5-b]oxepin-5-one,hexadecahydro-
12041-82-6 structure

5H-Benz[d]indeno[4,5-b]oxepin-5-one,hexadecahydro-

CAS No.:12041-82-6
Molecular Weight:245.35838
Molecular Formula:C12H22N4 (isomer)
Names and Identifiers
Synonyms

(5z)-3-(4-fluorophenyl)-5-(1h-indol-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one 3-(4-fluoro-phenyl)-5-(1h-indol-3-ylmethylene)-2-thioxo-thiazolidin-4-one AKOS001603884 BIM-0042788.P001 Cyclohexaneaceticacid, 2-(octahydro-4-hydroxy-1H-inden-5-yl)-, e-lactone MOLPORT-000-500-698 STK868633 STOCK3S-18159 ZINC19618547

Inchi
InChI=1S/C11H20O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;3-1-2-4/h2H,1,3-10H2,(H,12,13);4H,1-3H2
InChkey
GPOFRJKTYRFQLJ-UHFFFAOYSA-N
Canonical Smiles
C=CCCCCCCCCC(=O)O.C(CO)N
Properties
Density
1.046
Boiling Point
273.2°Cat760mmHg
Computational chemical data
  • Molecular Weight:245.35838g/mol
  • Molecular Formula:C12H22N4
  • Exact Mass:245.199094
  • Monoisotopic Mass:245.199094
  • Complexity:151
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:83.6
  • Heavy Atom Count:17
  • 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:2
 
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