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Home > Pyridines > 821789-69-9
821789-69-9 | 4(1H)-Pyridinone, 1-[3-[(2-ethylhexyl)oxy]phenyl]-2,6-dimethyl-
CAS No: 821789-69-9 Catalog No: AG00575L MDL No:
Product Description
Catalog Number:
AG00575L
Chemical Name:
4(1H)-Pyridinone, 1-[3-[(2-ethylhexyl)oxy]phenyl]-2,6-dimethyl-
CAS Number:
821789-69-9
Molecular Formula:
C21H29NO2
Molecular Weight:
327.4605
IUPAC Name:
1-[3-(2-ethylhexoxy)phenyl]-2,6-dimethylpyridin-4-one
InChI:
InChI=1S/C21H29NO2/c1-5-7-9-18(6-2)15-24-21-11-8-10-19(14-21)22-16(3)12-20(23)13-17(22)4/h8,10-14,18H,5-7,9,15H2,1-4H3
InChI Key:
JDFLNCIKHGHWCN-UHFFFAOYSA-N
SMILES:
CCCCC(COc1cccc(c1)n1c(C)cc(=O)cc1C)CC
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.22g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.468g/mol
Monoisotopic Mass:
327.22g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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