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Home > Other Heterocycles > 2060009-06-3
2060009-06-3 | 2-{5-oxo-6-azaspiro[3.4]octan-8-yl}benzonitrile
CAS No: 2060009-06-3 Catalog No: AG01BYR2 MDL No:MFCD30487328
Product Description
Catalog Number:
AG01BYR2
Chemical Name:
2-{5-oxo-6-azaspiro[3.4]octan-8-yl}benzonitrile
CAS Number:
2060009-06-3
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
MDL Number:
MFCD30487328
IUPAC Name:
2-(5-oxo-6-azaspiro[3.4]octan-8-yl)benzonitrile
InChI:
InChI=1S/C14H14N2O/c15-8-10-4-1-2-5-11(10)12-9-16-13(17)14(12)6-3-7-14/h1-2,4-5,12H,3,6-7,9H2,(H,16,17)
InChI Key:
UVVVBQSKKFQBMK-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C1CNC(=O)C21CCC2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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