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Home > Pyridines > 726146-05-0
726146-05-0 | 5-(2-hydroxy-5-methoxybenzoyl)-1-(3-methoxypropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 726146-05-0 Catalog No: AG019IG6 MDL No:MFCD03963956
Product Description
Catalog Number:
AG019IG6
Chemical Name:
5-(2-hydroxy-5-methoxybenzoyl)-1-(3-methoxypropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
726146-05-0
Molecular Formula:
C18H18N2O5
Molecular Weight:
342.3459
MDL Number:
MFCD03963956
IUPAC Name:
5-(2-hydroxy-5-methoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C18H18N2O5/c1-24-7-3-6-20-11-13(8-12(10-19)18(20)23)17(22)15-9-14(25-2)4-5-16(15)21/h4-5,8-9,11,21H,3,6-7H2,1-2H3
InChI Key:
XOICVFLZYNRSSF-UHFFFAOYSA-N
SMILES:
COCCCn1cc(cc(c1=O)C#N)C(=O)c1cc(OC)ccc1O
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.351g/mol
Monoisotopic Mass:
342.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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