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Home > Pyridines > 159429-58-0
159429-58-0 | 2-Propen-1-one, 1-(4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)-
CAS No: 159429-58-0 Catalog No: AG001QOK MDL No:
Product Description
Catalog Number:
AG001QOK
Chemical Name:
2-Propen-1-one, 1-(4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)-
CAS Number:
159429-58-0
Molecular Formula:
C17H17NO4
Molecular Weight:
299.3212
IUPAC Name:
1-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H17NO4/c1-20-15-10-12(11-16(21-2)17(15)22-3)4-5-14(19)13-6-8-18-9-7-13/h4-11H,1-3H3
InChI Key:
LTMMHRRDZVGAIL-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)c2ccncc2)cc(c1OC)OC
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.326g/mol
Monoisotopic Mass:
299.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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