Home Carboxys methyl 6-cyano-2-azabicyclo[2.2.2]octane-2-carboxylate

methyl 6-cyano-2-azabicyclo[2.2.2]octane-2-carboxylate

CAS No.:
1909314-11-9
Catalog Number:
AG01BB7S
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
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Product Description
Catalog Number:
AG01BB7S
Chemical Name:
methyl 6-cyano-2-azabicyclo[2.2.2]octane-2-carboxylate
CAS Number:
1909314-11-9
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD29054824
IUPAC Name:
methyl 6-cyano-2-azabicyclo[2.2.2]octane-2-carboxylate
InChI:
InChI=1S/C10H14N2O2/c1-14-10(13)12-6-7-2-3-9(12)8(4-7)5-11/h7-9H,2-4,6H2,1H3
InChI Key:
PEOTWIGAGRITRR-UHFFFAOYSA-N
SMILES:
N#CC1CC2CCC1N(C2)C(=O)OC
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties