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80893-78-3 | 3-Pyridinecarboxamide, N-acetyl-
CAS No: 80893-78-3 Catalog No: AG0056XU MDL No:
Product Description
Catalog Number:
AG0056XU
Chemical Name:
3-Pyridinecarboxamide, N-acetyl-
CAS Number:
80893-78-3
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
IUPAC Name:
N-acetylpyridine-3-carboxamide
InChI:
InChI=1S/C8H8N2O2/c1-6(11)10-8(12)7-3-2-4-9-5-7/h2-5H,1H3,(H,10,11,12)
InChI Key:
IOHVMKKVKVRCBB-UHFFFAOYSA-N
SMILES:
CC(=O)NC(=O)c1cccnc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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