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Home > Pyridines > 731011-89-5
731011-89-5 | 5-(2-hydroxybenzoyl)-1-(3-methoxypropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 731011-89-5 Catalog No: AG019J0I MDL No:MFCD04626500
Product Description
Catalog Number:
AG019J0I
Chemical Name:
5-(2-hydroxybenzoyl)-1-(3-methoxypropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
731011-89-5
Molecular Formula:
C17H16N2O4
Molecular Weight:
312.3199
MDL Number:
MFCD04626500
IUPAC Name:
5-(2-hydroxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C17H16N2O4/c1-23-8-4-7-19-11-13(9-12(10-18)17(19)22)16(21)14-5-2-3-6-15(14)20/h2-3,5-6,9,11,20H,4,7-8H2,1H3
InChI Key:
VIBACRXKIDPXLU-UHFFFAOYSA-N
SMILES:
COCCCn1cc(cc(c1=O)C#N)C(=O)c1ccccc1O
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.325g/mol
Monoisotopic Mass:
312.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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