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Home > Other Heterocycles > 138956-40-8
138956-40-8 | 3-Azabicyclo[3.2.1]octan-2-one, 3-hexyl-
CAS No: 138956-40-8 Catalog No: AG0019XF MDL No:
Product Description
Catalog Number:
AG0019XF
Chemical Name:
3-Azabicyclo[3.2.1]octan-2-one, 3-hexyl-
CAS Number:
138956-40-8
Molecular Formula:
C13H23NO
Molecular Weight:
209.3278
IUPAC Name:
3-hexyl-3-azabicyclo[3.2.1]octan-2-one
InChI:
InChI=1S/C13H23NO/c1-2-3-4-5-8-14-10-11-6-7-12(9-11)13(14)15/h11-12H,2-10H2,1H3
InChI Key:
DGKUOSJUYYKMJS-UHFFFAOYSA-N
SMILES:
CCCCCCN1CC2CCC(C1=O)C2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.333g/mol
Monoisotopic Mass:
209.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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