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Home > Pyridines > 261914-52-7
261914-52-7 | 2(1H)-Pyridinone, 5,6-dihydro-1-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-
CAS No: 261914-52-7 Catalog No: AG002S4V MDL No:
Product Description
Catalog Number:
AG002S4V
Chemical Name:
2(1H)-Pyridinone, 5,6-dihydro-1-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-
CAS Number:
261914-52-7
Molecular Formula:
C16H17NO5
Molecular Weight:
303.3099
IUPAC Name:
1-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
InChI:
InChI=1S/C16H17NO5/c1-21-12-9-11(10-13(22-2)16(12)20)6-7-15(19)17-8-4-3-5-14(17)18/h3,5-7,9-10,20H,4,8H2,1-2H3
InChI Key:
JJKQRSNEGCOSOC-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(c1O)OC
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.314g/mol
Monoisotopic Mass:
303.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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