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Home > Other Heterocycles > 870888-47-4
870888-47-4 | 1-Naphthalenecarbonitrile, 4-(3-oxo-8-azabicyclo[3.2.1]oct-8-yl)-
CAS No: 870888-47-4 Catalog No: AG004P7Q MDL No:
Product Description
Catalog Number:
AG004P7Q
Chemical Name:
1-Naphthalenecarbonitrile, 4-(3-oxo-8-azabicyclo[3.2.1]oct-8-yl)-
CAS Number:
870888-47-4
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)naphthalene-1-carbonitrile
InChI:
InChI=1S/C18H16N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-14H,6-7,9-10H2
InChI Key:
GQSWLDCYPZRVFY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)N1C2CCC1CC(=O)C2
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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