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Home > Pyridines > 881201-66-7
881201-66-7 | 2(1H)-Pyridinone, 1-acetyl-4-(acetyloxy)-3-butyl-5-phenyl-
CAS No: 881201-66-7 Catalog No: AG004IH0 MDL No:
Product Description
Catalog Number:
AG004IH0
Chemical Name:
2(1H)-Pyridinone, 1-acetyl-4-(acetyloxy)-3-butyl-5-phenyl-
CAS Number:
881201-66-7
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
IUPAC Name:
(1-acetyl-3-butyl-2-oxo-5-phenylpyridin-4-yl) acetate
InChI:
InChI=1S/C19H21NO4/c1-4-5-11-16-18(24-14(3)22)17(15-9-7-6-8-10-15)12-20(13(2)21)19(16)23/h6-10,12H,4-5,11H2,1-3H3
InChI Key:
IMYVQEOZCZBRTG-UHFFFAOYSA-N
SMILES:
CCCCc1c(OC(=O)C)c(cn(c1=O)C(=O)C)c1ccccc1
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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