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90395-45-2 | 1-(4-(Pyridin-3-yl);phenyl);ethanone
CAS No: 90395-45-2 Catalog No: AG003D10 MDL No:MFCD08276465
Product Description
Catalog Number:
AG003D10
Chemical Name:
1-(4-(Pyridin-3-yl);phenyl);ethanone
CAS Number:
90395-45-2
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD08276465
IUPAC Name:
1-(4-pyridin-3-ylphenyl)ethanone
InChI:
InChI=1S/C13H11NO/c1-10(15)11-4-6-12(7-5-11)13-3-2-8-14-9-13/h2-9H,1H3
InChI Key:
YDAFIGBEEBFUKV-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1cccnc1
Properties
Complexity:
219
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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