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Home > Pyridines > 128172-80-5
128172-80-5 | 1,3-Propanedione, 1-(4-methoxyphenyl)-3-(2-pyridinyl)-
CAS No: 128172-80-5 Catalog No: AG000XUJ MDL No:
Product Description
Catalog Number:
AG000XUJ
Chemical Name:
1,3-Propanedione, 1-(4-methoxyphenyl)-3-(2-pyridinyl)-
CAS Number:
128172-80-5
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
IUPAC Name:
1-(4-methoxyphenyl)-3-pyridin-2-ylpropane-1,3-dione
InChI:
InChI=1S/C15H13NO3/c1-19-12-7-5-11(6-8-12)14(17)10-15(18)13-4-2-3-9-16-13/h2-9H,10H2,1H3
InChI Key:
LZYKQVQOMLOVRL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CC(=O)c1ccccn1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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