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Home > Other Heterocycles > 2059940-51-9
2059940-51-9 | 4-{5-oxo-6-azaspiro[3.4]octan-8-yl}benzonitrile
CAS No: 2059940-51-9 Catalog No: AG01BYQY MDL No:MFCD30487324
Product Description
Catalog Number:
AG01BYQY
Chemical Name:
4-{5-oxo-6-azaspiro[3.4]octan-8-yl}benzonitrile
CAS Number:
2059940-51-9
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
MDL Number:
MFCD30487324
IUPAC Name:
4-(5-oxo-6-azaspiro[3.4]octan-8-yl)benzonitrile
InChI:
InChI=1S/C14H14N2O/c15-8-10-2-4-11(5-3-10)12-9-16-13(17)14(12)6-1-7-14/h2-5,12H,1,6-7,9H2,(H,16,17)
InChI Key:
OXQZQEBRZNYXFU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1CNC(=O)C21CCC2
Properties
Complexity:
369
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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