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Home> Encyclopedia > Hot Product Listed 6   > 6,1,3-Ethanylylidenecyclopenta[cd]pentalene,decahydro- (9CI)
1212106-97-2 structure

6,1,3-Ethanylylidenecyclopenta[cd]pentalene,decahydro- (9CI)

Iupac Name:[(3aR,7aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol
CAS No.:1212106-97-2
EINECS(EC#): 249-483-1
Molecular Weight:155.241
Molecular Formula:C16H17N3OS (isomer)
Names and Identifiers
Synonyms

6,1,3-Ethanylylidenecyclopenta[cd]pentalene,decahydro-(9CI)

Inchi
InChI=1S/C9H17NO/c11-7-9-4-2-1-3-8(9)5-10-6-9/h8,10-11H,1-7H2/t8-,9+/m0/s1
InChkey
HKTBIXJIDRLJOD-DTWKUNHWSA-N
Canonical Smiles
C1CCC2(CNCC2C1)CO
Properties
Density
1.299
Computational chemical data
  • Molecular Weight:155.241g/mol
  • Molecular Formula:C16H17N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:155.131
  • Monoisotopic Mass:155.131
  • Complexity:149
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.3A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:2
  • 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: AAADceByIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgAAAAAHgAQCAAADwDhgAYAAALAAgAA AAAAAAAAAAAAAAAAAIAIAAAAEAIAgAAEQAAGEACAAAGwwOAPgAAAAAAAAAAAAAAAACAAAAAAAAAA AA==
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