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198345-91-4

198345-91-4 | 3-Pyridinecarboxamide, 5-(4-methoxyphenyl)-

CAS No: 198345-91-4 Catalog No: AG002BG9 MDL No:

Product Description

Catalog Number:
AG002BG9
Chemical Name:
3-Pyridinecarboxamide, 5-(4-methoxyphenyl)-
CAS Number:
198345-91-4
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
5-(4-methoxyphenyl)pyridine-3-carboxamide
InChI:
InChI=1S/C13H12N2O2/c1-17-12-4-2-9(3-5-12)10-6-11(13(14)16)8-15-7-10/h2-8H,1H3,(H2,14,16)
InChI Key:
OFYGSCMHWJTHQF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cncc(c1)C(=O)N

Properties

Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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