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88329-54-8 | 4-Pyridinecarboxamide, 3-methyl-N-phenyl-
CAS No: 88329-54-8 Catalog No: AG0047CH MDL No:
Product Description
Catalog Number:
AG0047CH
Chemical Name:
4-Pyridinecarboxamide, 3-methyl-N-phenyl-
CAS Number:
88329-54-8
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
3-methyl-N-phenylpyridine-4-carboxamide
InChI:
InChI=1S/C13H12N2O/c1-10-9-14-8-7-12(10)13(16)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChI Key:
WVDNSTHVXPSTNW-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1C)Nc1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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