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68066-54-6

68066-54-6 | 3-propyl-3-azabicyclo[3.3.1]nonan-9-one

CAS No: 68066-54-6 Catalog No: AG019QXU MDL No:MFCD13806440

Product Description

Catalog Number:
AG019QXU
Chemical Name:
3-propyl-3-azabicyclo[3.3.1]nonan-9-one
CAS Number:
68066-54-6
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
MDL Number:
MFCD13806440
IUPAC Name:
3-propyl-3-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C11H19NO/c1-2-6-12-7-9-4-3-5-10(8-12)11(9)13/h9-10H,2-8H2,1H3
InChI Key:
XEQFDHSBOUPCSI-UHFFFAOYSA-N
SMILES:
CCCN1CC2CCCC(C1)C2=O

Properties

Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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