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1271080-79-5 | 1-(3-methylphenyl)-3-(pyridin-3-yl)propan-2-one
CAS No: 1271080-79-5 Catalog No: AG01BCLN MDL No:MFCD17354876
Product Description
Catalog Number:
AG01BCLN
Chemical Name:
1-(3-methylphenyl)-3-(pyridin-3-yl)propan-2-one
CAS Number:
1271080-79-5
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
MDL Number:
MFCD17354876
IUPAC Name:
1-(3-methylphenyl)-3-pyridin-3-ylpropan-2-one
InChI:
InChI=1S/C15H15NO/c1-12-4-2-5-13(8-12)9-15(17)10-14-6-3-7-16-11-14/h2-8,11H,9-10H2,1H3
InChI Key:
GDYBAGYZRWPQEK-UHFFFAOYSA-N
SMILES:
O=C(Cc1cccc(c1)C)Cc1cccnc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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