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Home > Pyridines > 1016822-48-2
1016822-48-2 | 2-(3,4-dimethylphenoxy)pyridine-4-carbonitrile
CAS No: 1016822-48-2 Catalog No: AG019MS9 MDL No:MFCD09944940
Product Description
Catalog Number:
AG019MS9
Chemical Name:
2-(3,4-dimethylphenoxy)pyridine-4-carbonitrile
CAS Number:
1016822-48-2
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
MDL Number:
MFCD09944940
IUPAC Name:
2-(3,4-dimethylphenoxy)pyridine-4-carbonitrile
InChI:
InChI=1S/C14H12N2O/c1-10-3-4-13(7-11(10)2)17-14-8-12(9-15)5-6-16-14/h3-8H,1-2H3
InChI Key:
LZZRKQSETUOZRI-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)Oc1ccc(c(c1)C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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