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16097-11-3

16097-11-3 | 2(1H)-Pyridone, 6,6'-hexamethylenedi- (8CI)

CAS No: 16097-11-3 Catalog No: AG001VJY MDL No:

Product Description

Catalog Number:
AG001VJY
Chemical Name:
2(1H)-Pyridone, 6,6'-hexamethylenedi- (8CI)
CAS Number:
16097-11-3
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
6-[6-(6-oxo-1H-pyridin-2-yl)hexyl]-1H-pyridin-2-one
InChI:
InChI=1S/C16H20N2O2/c19-15-11-5-9-13(17-15)7-3-1-2-4-8-14-10-6-12-16(20)18-14/h5-6,9-12H,1-4,7-8H2,(H,17,19)(H,18,20)
InChI Key:
NGSPCQWAYOKPSG-UHFFFAOYSA-N
SMILES:
O=c1cccc([nH]1)CCCCCCc1cccc(=O)[nH]1
NSC Number:
108066

Properties

Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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