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Home > Pyridines > 821789-61-1
821789-61-1 | 4(1H)-Pyridinone, 1-(4-hexylphenyl)-
CAS No: 821789-61-1 Catalog No: AG005154 MDL No:
Product Description
Catalog Number:
AG005154
Chemical Name:
4(1H)-Pyridinone, 1-(4-hexylphenyl)-
CAS Number:
821789-61-1
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
IUPAC Name:
1-(4-hexylphenyl)pyridin-4-one
InChI:
InChI=1S/C17H21NO/c1-2-3-4-5-6-15-7-9-16(10-8-15)18-13-11-17(19)12-14-18/h7-14H,2-6H2,1H3
InChI Key:
VHEYTHGAWFUGPB-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)n1ccc(=O)cc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.361g/mol
Monoisotopic Mass:
255.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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