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Home > Nitro Compounds > 75125-55-2
75125-55-2 | 3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-5-[2-(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-2-oxo-
CAS No: 75125-55-2 Catalog No: AG0056KX MDL No:
Product Description
Catalog Number:
AG0056KX
Chemical Name:
3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-5-[2-(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-2-oxo-
CAS Number:
75125-55-2
Molecular Formula:
C14H11N5O5
Molecular Weight:
329.2676
IUPAC Name:
2-hydroxy-5-[(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C14H11N5O5/c1-7-9(6-15)13(20)16-14(21)12(7)18-17-10-4-3-8(24-2)5-11(10)19(22)23/h3-5H,1-2H3,(H2,16,20,21)
InChI Key:
RIECVLDMNHKXER-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)[nH]c(=O)c(c1C)C#N
EC Number:
278-075-6
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.076g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.272g/mol
Monoisotopic Mass:
329.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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