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84794-33-2 | 3-Pyridinecarboxamide, N-(1,3-dioxo-4-phenylbutyl)-
CAS No: 84794-33-2 Catalog No: AG004RGQ MDL No:
Product Description
Catalog Number:
AG004RGQ
Chemical Name:
3-Pyridinecarboxamide, N-(1,3-dioxo-4-phenylbutyl)-
CAS Number:
84794-33-2
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
N-(3-oxo-4-phenylbutanoyl)pyridine-3-carboxamide
InChI:
InChI=1S/C16H14N2O3/c19-14(9-12-5-2-1-3-6-12)10-15(20)18-16(21)13-7-4-8-17-11-13/h1-8,11H,9-10H2,(H,18,20,21)
InChI Key:
ZEYHRRPTXXFWBT-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1cccnc1)CC(=O)Cc1ccccc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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