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Home > Pyridines > 478033-66-8
478033-66-8 | 4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]-1-[(pyridin-3-yl)methyl]-1,2-dihydropyridin-2-one
CAS No: 478033-66-8 Catalog No: AG00IY0E MDL No:MFCD02082502
Product Description
Catalog Number:
AG00IY0E
Chemical Name:
4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]-1-[(pyridin-3-yl)methyl]-1,2-dihydropyridin-2-one
CAS Number:
478033-66-8
Molecular Formula:
C20H18N2O2
Molecular Weight:
318.3691
MDL Number:
MFCD02082502
IUPAC Name:
4-hydroxy-3-(3-phenylprop-2-enyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
InChI:
InChI=1S/C20H18N2O2/c23-19-11-13-22(15-17-9-5-12-21-14-17)20(24)18(19)10-4-8-16-6-2-1-3-7-16/h1-9,11-14,23H,10,15H2
InChI Key:
APYTTXDXSVHFNM-UHFFFAOYSA-N
SMILES:
Oc1ccn(c(=O)c1C/C=C/c1ccccc1)Cc1cccnc1
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.376g/mol
Monoisotopic Mass:
318.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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