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Home > Pyridines > 127581-40-2
127581-40-2 | 3-Pyridinecarbonitrile, 4,6-dimethoxy-2-methyl-5-phenyl-
CAS No: 127581-40-2 Catalog No: AG000X6R MDL No:
Product Description
Catalog Number:
AG000X6R
Chemical Name:
3-Pyridinecarbonitrile, 4,6-dimethoxy-2-methyl-5-phenyl-
CAS Number:
127581-40-2
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
IUPAC Name:
4,6-dimethoxy-2-methyl-5-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C15H14N2O2/c1-10-12(9-16)14(18-2)13(15(17-10)19-3)11-7-5-4-6-8-11/h4-8H,1-3H3
InChI Key:
WXXSYEHZOJCOFG-UHFFFAOYSA-N
SMILES:
COc1nc(C)c(c(c1c1ccccc1)OC)C#N
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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