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Home > Other Heterocycles > 2059941-35-2
2059941-35-2 | 2-{1-oxo-2-azaspiro[4.4]nonan-4-yl}benzonitrile
CAS No: 2059941-35-2 Catalog No: AG01BZVC MDL No:MFCD30486892
Product Description
Catalog Number:
AG01BZVC
Chemical Name:
2-{1-oxo-2-azaspiro[4.4]nonan-4-yl}benzonitrile
CAS Number:
2059941-35-2
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3003
MDL Number:
MFCD30486892
IUPAC Name:
2-(1-oxo-2-azaspiro[4.4]nonan-4-yl)benzonitrile
InChI:
InChI=1S/C15H16N2O/c16-9-11-5-1-2-6-12(11)13-10-17-14(18)15(13)7-3-4-8-15/h1-2,5-6,13H,3-4,7-8,10H2,(H,17,18)
InChI Key:
SBAXOZJIZVIFKB-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C1CNC(=O)C21CCCC2
Properties
Complexity:
389
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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