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20745-53-3 | 3-Pyridinepropanamide, N-phenyl-
CAS No: 20745-53-3 Catalog No: AG002J2U MDL No:
Product Description
Catalog Number:
AG002J2U
Chemical Name:
3-Pyridinepropanamide, N-phenyl-
CAS Number:
20745-53-3
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
N-phenyl-3-pyridin-3-ylpropanamide
InChI:
InChI=1S/C14H14N2O/c17-14(16-13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h1-7,10-11H,8-9H2,(H,16,17)
InChI Key:
KOMRTXIUMQIGRR-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CCc1cccnc1
NSC Number:
211909
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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