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20745-51-1 | 2-Propenamide, N-phenyl-3-(4-pyridinyl)-
CAS No: 20745-51-1 Catalog No: AG002J2V MDL No:
Product Description
Catalog Number:
AG002J2V
Chemical Name:
2-Propenamide, N-phenyl-3-(4-pyridinyl)-
CAS Number:
20745-51-1
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
N-phenyl-3-pyridin-4-ylprop-2-enamide
InChI:
InChI=1S/C14H12N2O/c17-14(16-13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12/h1-11H,(H,16,17)
InChI Key:
NWTBOZPPBLPZSI-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)C=Cc1ccncc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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