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Home > Nitro Compounds > 1806281-60-6
1806281-60-6 | 3-Pyridinecarbonitrile, 4-hydroxy-5-nitro-
CAS No: 1806281-60-6 Catalog No: AG002266 MDL No:
Product Description
Catalog Number:
AG002266
Chemical Name:
3-Pyridinecarbonitrile, 4-hydroxy-5-nitro-
CAS Number:
1806281-60-6
Molecular Formula:
C6H3N3O3
Molecular Weight:
165.1063
IUPAC Name:
5-nitro-4-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H3N3O3/c7-1-4-2-8-3-5(6(4)10)9(11)12/h2-3H,(H,8,10)
InChI Key:
GZXDRWSHCFOIJR-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(c1O)[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:
5
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:
0.1
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