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Home > Other Heterocycles > 2060059-91-6
2060059-91-6 | 3-{1-oxo-2-azaspiro[4.4]nonan-4-yl}benzonitrile
CAS No: 2060059-91-6 Catalog No: AG01BZVD MDL No:MFCD30486893
Product Description
Catalog Number:
AG01BZVD
Chemical Name:
3-{1-oxo-2-azaspiro[4.4]nonan-4-yl}benzonitrile
CAS Number:
2060059-91-6
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3003
MDL Number:
MFCD30486893
IUPAC Name:
3-(1-oxo-2-azaspiro[4.4]nonan-4-yl)benzonitrile
InChI:
InChI=1S/C15H16N2O/c16-9-11-4-3-5-12(8-11)13-10-17-14(18)15(13)6-1-2-7-15/h3-5,8,13H,1-2,6-7,10H2,(H,17,18)
InChI Key:
SSRDPVBCIIOTNE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C1CNC(=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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