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Home > Nitro Compounds > 86398-22-3
86398-22-3 | 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-nitroso-2-oxo-
CAS No: 86398-22-3 Catalog No: AG004XD2 MDL No:
Product Description
Catalog Number:
AG004XD2
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-nitroso-2-oxo-
CAS Number:
86398-22-3
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
IUPAC Name:
2-hydroxy-4-methyl-5-nitroso-6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C7H5N3O3/c1-3-4(2-8)6(11)9-7(12)5(3)10-13/h1H3,(H2,9,11,12)
InChI Key:
CKUIUKAZDATUDR-UHFFFAOYSA-N
SMILES:
O=Nc1c(O)[nH]c(=O)c(c1C)C#N
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.135g/mol
Monoisotopic Mass:
179.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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