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Home > Pyridines > 727374-25-6
727374-25-6 | 1-(4-ethylphenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 727374-25-6 Catalog No: AG00ICAP MDL No:MFCD06191747
Product Description
Catalog Number:
AG00ICAP
Chemical Name:
1-(4-ethylphenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
727374-25-6
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
MDL Number:
MFCD06191747
IUPAC Name:
1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C16H16N2O/c1-4-13-5-7-14(8-6-13)18-12(3)9-11(2)15(10-17)16(18)19/h5-9H,4H2,1-3H3
InChI Key:
LZZMANSKGWMVEK-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)n1c(C)cc(c(c1=O)C#N)C
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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