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Home > Pyridines > 339333-76-5
339333-76-5 | 1-[3-(pyridin-4-yl)phenyl]ethan-1-one
CAS No: 339333-76-5 Catalog No: AG01AKUF MDL No:MFCD12785846
Product Description
Catalog Number:
AG01AKUF
Chemical Name:
1-[3-(pyridin-4-yl)phenyl]ethan-1-one
CAS Number:
339333-76-5
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD12785846
IUPAC Name:
1-(3-pyridin-4-ylphenyl)ethanone
InChI:
InChI=1S/C13H11NO/c1-10(15)12-3-2-4-13(9-12)11-5-7-14-8-6-11/h2-9H,1H3
InChI Key:
ZLJWVMPGPJLLBA-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)c1ccncc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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