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13337-77-4 | 3-Pyridinecarboxamide, N-(2-oxo-2-phenylethyl)-
CAS No: 13337-77-4 Catalog No: AG0014RB MDL No:
Product Description
Catalog Number:
AG0014RB
Chemical Name:
3-Pyridinecarboxamide, N-(2-oxo-2-phenylethyl)-
CAS Number:
13337-77-4
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
IUPAC Name:
N-phenacylpyridine-3-carboxamide
InChI:
InChI=1S/C14H12N2O2/c17-13(11-5-2-1-3-6-11)10-16-14(18)12-7-4-8-15-9-12/h1-9H,10H2,(H,16,18)
InChI Key:
FDLMWXCSKYBNSP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CNC(=O)c1cccnc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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