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Home > Nitro Compounds > 941083-49-4
941083-49-4 | 2-Hydroxy-5-nitronicotinamide
CAS No: 941083-49-4 Catalog No: AG01DOBV MDL No:MFCD13633967
Product Description
Catalog Number:
AG01DOBV
Chemical Name:
2-Hydroxy-5-nitronicotinamide
CAS Number:
941083-49-4
Molecular Formula:
C6H5N3O4
Molecular Weight:
183.1216
MDL Number:
MFCD13633967
IUPAC Name:
5-nitro-2-oxo-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C6H5N3O4/c7-5(10)4-1-3(9(12)13)2-8-6(4)11/h1-2H,(H2,7,10)(H,8,11)
InChI Key:
GJHSBBQYGJSYLQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(=O)c(c1)C(=O)N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.123g/mol
Monoisotopic Mass:
183.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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