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Home > Pyridines > 1216790-93-0
1216790-93-0 | 1-[6-(4-Methylphenyl)pyridin-3-yl]ethanone
CAS No: 1216790-93-0 Catalog No: AG01ER1Q MDL No:
Product Description
Catalog Number:
AG01ER1Q
Chemical Name:
1-[6-(4-Methylphenyl)pyridin-3-yl]ethanone
CAS Number:
1216790-93-0
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
1-[6-(4-methylphenyl)pyridin-3-yl]ethanone
InChI:
InChI=1S/C14H13NO/c1-10-3-5-12(6-4-10)14-8-7-13(9-15-14)11(2)16/h3-9H,1-2H3
InChI Key:
XKKPZONXQYGSIZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc(cn1)C(=O)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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