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Home > Nitro Compounds > 2854-56-0
2854-56-0 | 3(2H)-Pyridazinone, 4-hydroxy-2-methyl-5-nitro-
CAS No: 2854-56-0 Catalog No: AG002VNV MDL No:
Product Description
Catalog Number:
AG002VNV
Chemical Name:
3(2H)-Pyridazinone, 4-hydroxy-2-methyl-5-nitro-
CAS Number:
2854-56-0
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
IUPAC Name:
2-methyl-5-nitro-1H-pyridazine-3,4-dione
InChI:
InChI=1S/C5H5N3O4/c1-7-5(10)4(9)3(2-6-7)8(11)12/h2,6H,1H3
InChI Key:
GFVFFIZQJCUTDD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c(=O)c1O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.112g/mol
Monoisotopic Mass:
171.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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