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84794-29-6 | 2-Pyridinecarboxamide, N-(1,3-dioxopentyl)-
CAS No: 84794-29-6 Catalog No: AG004XFR MDL No:
Product Description
Catalog Number:
AG004XFR
Chemical Name:
2-Pyridinecarboxamide, N-(1,3-dioxopentyl)-
CAS Number:
84794-29-6
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
N-(3-oxopentanoyl)pyridine-2-carboxamide
InChI:
InChI=1S/C11H12N2O3/c1-2-8(14)7-10(15)13-11(16)9-5-3-4-6-12-9/h3-6H,2,7H2,1H3,(H,13,15,16)
InChI Key:
HWXWGRYJALLOQG-UHFFFAOYSA-N
SMILES:
CCC(=O)CC(=O)NC(=O)c1ccccn1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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