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1247742-78-4 | 1-phenyl-3-(pyridin-3-yl)propan-2-one
CAS No: 1247742-78-4 Catalog No: AG01BJ85 MDL No:MFCD16786227
Product Description
Catalog Number:
AG01BJ85
Chemical Name:
1-phenyl-3-(pyridin-3-yl)propan-2-one
CAS Number:
1247742-78-4
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
MDL Number:
MFCD16786227
IUPAC Name:
1-phenyl-3-pyridin-3-ylpropan-2-one
InChI:
InChI=1S/C14H13NO/c16-14(9-12-5-2-1-3-6-12)10-13-7-4-8-15-11-13/h1-8,11H,9-10H2
InChI Key:
IOARNLGXQCFTFC-UHFFFAOYSA-N
SMILES:
O=C(Cc1cccnc1)Cc1ccccc1
Properties
Complexity:
221
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:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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