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Home > Pyridines > 730949-56-1
730949-56-1 | 1-cyclohexyl-5-(2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 730949-56-1 Catalog No: AG019IG5 MDL No:MFCD04621441
Product Description
Catalog Number:
AG019IG5
Chemical Name:
1-cyclohexyl-5-(2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
730949-56-1
Molecular Formula:
C19H18N2O3
Molecular Weight:
322.3578
MDL Number:
MFCD04621441
IUPAC Name:
1-cyclohexyl-5-(2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C19H18N2O3/c20-11-13-10-14(18(23)16-8-4-5-9-17(16)22)12-21(19(13)24)15-6-2-1-3-7-15/h4-5,8-10,12,15,22H,1-3,6-7H2
InChI Key:
MRQPLMHVWBPQMW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cn(c1=O)C1CCCCC1)C(=O)c1ccccc1O
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.364g/mol
Monoisotopic Mass:
322.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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