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82039-86-9 | N-HYDROXY-5-NITRO-3H-IMIDAZOLE-4-CARBOXAMIDE
CAS No: 82039-86-9 Catalog No: AG0052R4 MDL No:
Product Description
Catalog Number:
AG0052R4
Chemical Name:
N-HYDROXY-5-NITRO-3H-IMIDAZOLE-4-CARBOXAMIDE
CAS Number:
82039-86-9
Molecular Formula:
C4H4N4O4
Molecular Weight:
172.0990
IUPAC Name:
N-hydroxy-5-nitro-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C4H4N4O4/c9-4(7-10)2-3(8(11)12)6-1-5-2/h1,10H,(H,5,6)(H,7,9)
InChI Key:
VAAPYDAJFKJVFC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nc[nH]c1C(=O)NO
NSC Number:
135090
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
172.1g/mol
Monoisotopic Mass:
172.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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