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Home > Other Heterocycles > 2059967-11-0
2059967-11-0 | 4-{1-oxo-2-azaspiro[4.4]nonan-4-yl}benzonitrile
CAS No: 2059967-11-0 Catalog No: AG01BZV8 MDL No:MFCD30486888
Product Description
Catalog Number:
AG01BZV8
Chemical Name:
4-{1-oxo-2-azaspiro[4.4]nonan-4-yl}benzonitrile
CAS Number:
2059967-11-0
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3003
MDL Number:
MFCD30486888
IUPAC Name:
4-(1-oxo-2-azaspiro[4.4]nonan-4-yl)benzonitrile
InChI:
InChI=1S/C15H16N2O/c16-9-11-3-5-12(6-4-11)13-10-17-14(18)15(13)7-1-2-8-15/h3-6,13H,1-2,7-8,10H2,(H,17,18)
InChI Key:
QTBSTSMARIKXBB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1CNC(=O)C21CCCC2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.306g/mol
Monoisotopic Mass:
240.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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