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Home > Pyridines > 851663-31-5
851663-31-5 | 2-Propen-1-one, 3-(2,3-dimethoxyphenyl)-1-(4-pyridinyl)-
CAS No: 851663-31-5 Catalog No: AG004WS2 MDL No:
Product Description
Catalog Number:
AG004WS2
Chemical Name:
2-Propen-1-one, 3-(2,3-dimethoxyphenyl)-1-(4-pyridinyl)-
CAS Number:
851663-31-5
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
3-(2,3-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
InChI:
InChI=1S/C16H15NO3/c1-19-15-5-3-4-13(16(15)20-2)6-7-14(18)12-8-10-17-11-9-12/h3-11H,1-2H3
InChI Key:
NSAHTJCDTKYCTM-UHFFFAOYSA-N
SMILES:
COc1c(cccc1OC)C=CC(=O)c1ccncc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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