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Home > Nitro Compounds > 320405-84-3
320405-84-3 | 5-Nitro-6-oxo-1,6-dihydropyridine-3-carbonitrile
CAS No: 320405-84-3 Catalog No: AG003MWY MDL No:MFCD11504985
Product Description
Catalog Number:
AG003MWY
Chemical Name:
5-Nitro-6-oxo-1,6-dihydropyridine-3-carbonitrile
CAS Number:
320405-84-3
Molecular Formula:
C6H3N3O3
Molecular Weight:
165.1063
MDL Number:
MFCD11504985
IUPAC Name:
5-nitro-6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H3N3O3/c7-2-4-1-5(9(11)12)6(10)8-3-4/h1,3H,(H,8,10)
InChI Key:
SSYCVCKERZMXLP-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c(=O)c(c1)[N+](=O)[O-]
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.108g/mol
Monoisotopic Mass:
165.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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