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98-92-0 | 3-Pyridinecarboxamide
CAS No: 98-92-0 Catalog No: AG00IK0C MDL No:MFCD00006395
Product Description
Catalog Number:
AG00IK0C
Chemical Name:
3-Pyridinecarboxamide
CAS Number:
98-92-0
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD00006395
IUPAC Name:
pyridine-3-carboxamide
InChI:
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChI Key:
DFPAKSUCGFBDDF-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccnc1
UNII:
25X51I8RD4
RTECS Number:
QS3675000
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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