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Home > Other Heterocycles > 2060008-72-0
2060008-72-0 | 3-{5-oxo-6-azaspiro[3.4]octan-8-yl}benzonitrile
CAS No: 2060008-72-0 Catalog No: AG01BYR3 MDL No:MFCD30487329
Product Description
Catalog Number:
AG01BYR3
Chemical Name:
3-{5-oxo-6-azaspiro[3.4]octan-8-yl}benzonitrile
CAS Number:
2060008-72-0
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
MDL Number:
MFCD30487329
IUPAC Name:
3-(5-oxo-6-azaspiro[3.4]octan-8-yl)benzonitrile
InChI:
InChI=1S/C14H14N2O/c15-8-10-3-1-4-11(7-10)12-9-16-13(17)14(12)5-2-6-14/h1,3-4,7,12H,2,5-6,9H2,(H,16,17)
InChI Key:
CDSQAISKDTURGZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C1CNC(=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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