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Home > Nitro Compounds > 2854-59-3
2854-59-3 | 3(2H)-Pyridazinone, 4-hydroxy-5-nitro-
CAS No: 2854-59-3 Catalog No: AG002VNU MDL No:MFCD08444417
Product Description
Catalog Number:
AG002VNU
Chemical Name:
3(2H)-Pyridazinone, 4-hydroxy-5-nitro-
CAS Number:
2854-59-3
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.0843
MDL Number:
MFCD08444417
IUPAC Name:
5-nitro-1,2-dihydropyridazine-3,4-dione
InChI:
InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-6-4(3)9/h1H,(H,5,8)(H,6,9)
InChI Key:
ZRZQHOGQSIIRGL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn[nH]c(=O)c1O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.012g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.085g/mol
Monoisotopic Mass:
157.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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