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Home> Hot Product Listed 1   > 1,4-Diazaspiro[4.5]dec-1-ene-2-pentanoic acid, 3-oxo-
6631-71-6 structure

1,4-Diazaspiro[4.5]dec-1-ene-2-pentanoic acid, 3-oxo-

Iupac Name:4-piperidin-1-ylbutan-2-one;hydrochloride
CAS No.:6631-71-6
Molecular Weight:191.699
Molecular Formula:C32H50 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C9H17NO.ClH/c1-9(11)5-8-10-6-3-2-4-7-10;/h2-8H2,1H3;1H
InChkey
FGDUUYMJWZKRPN-UHFFFAOYSA-N
Canonical Smiles
CC(=O)CCN1CCCCC1.Cl
Isomers Smiles
CC(=O)CCN1CCCCC1.[Cl-]
Properties
Refractive Index
1.459
Computational chemical data
  • Molecular Weight:191.699g/mol
  • Molecular Formula:C32H50
  • Compound Is Canonicalized:True
  • Exact Mass:191.108
  • Monoisotopic Mass:191.108
  • Complexity:128
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:20.3A^2
  • Heavy Atom Count:12
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceByIAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAAAAAACATBgAQCAAMAAAAI AIAQAAAAAAAAAAAAAAEIAAAAAAoAgAAEAAAAAACAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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