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39976-56-2 | 1-phenyl-3-(pyridin-3-yl)propan-1-one
CAS No: 39976-56-2 Catalog No: AG01BJ8B MDL No:MFCD20337324
Product Description
Catalog Number:
AG01BJ8B
Chemical Name:
1-phenyl-3-(pyridin-3-yl)propan-1-one
CAS Number:
39976-56-2
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
MDL Number:
MFCD20337324
IUPAC Name:
1-phenyl-3-pyridin-3-ylpropan-1-one
InChI:
InChI=1S/C14H13NO/c16-14(13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h1-7,10-11H,8-9H2
InChI Key:
VUZLPVAXOHPRLL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCc1cccnc1
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:
2.4
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