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18940-08-4 | 3-Pyridinecarboxamide, 1,4-dihydro-
CAS No: 18940-08-4 Catalog No: AG002DNQ MDL No:
Product Description
Catalog Number:
AG002DNQ
Chemical Name:
3-Pyridinecarboxamide, 1,4-dihydro-
CAS Number:
18940-08-4
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
IUPAC Name:
1,4-dihydropyridine-3-carboxamide
InChI:
InChI=1S/C6H8N2O/c7-6(9)5-2-1-3-8-4-5/h1,3-4,8H,2H2,(H2,7,9)
InChI Key:
KGUMNRYFUFLBGA-UHFFFAOYSA-N
SMILES:
NC(=O)C1=CNC=CC1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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