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Home > Other Heterocycles > 86949-84-0

86949-84-0

86949-84-0 | 3-Azabicyclo[3.3.1]nonan-9-one

CAS No: 86949-84-0 Catalog No: AG004O79 MDL No:

Product Description

Catalog Number:
AG004O79
Chemical Name:
3-Azabicyclo[3.3.1]nonan-9-one
CAS Number:
86949-84-0
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
IUPAC Name:
3-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C8H13NO/c10-8-6-2-1-3-7(8)5-9-4-6/h6-7,9H,1-5H2
InChI Key:
DBWLVRLNIRJCQE-UHFFFAOYSA-N
SMILES:
O=C1C2CCCC1CNC2

Properties

Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Literature

Title Journal
2,4-Bis(2-methoxy-phenyl)-3-aza-bicyclo-[3.3.1]nonan-9-one. Acta crystallographica. Section E, Structure reports online 20090601

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