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Home > Nitro Compounds > 85216-54-2
85216-54-2 | 2-hydroxy-6-Methyl-5-nitronicotinonitrile
CAS No: 85216-54-2 Catalog No: AG00G9YY MDL No:
Product Description
Catalog Number:
AG00G9YY
Chemical Name:
2-hydroxy-6-Methyl-5-nitronicotinonitrile
CAS Number:
85216-54-2
IUPAC Name:
6-methyl-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C7H5N3O3/c1-4-6(10(12)13)2-5(3-8)7(11)9-4/h2H,1H3,(H,9,11)
InChI Key:
DYMMDKCIGQIZIY-UHFFFAOYSA-N
Properties
Complexity:
391
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.135g/mol
Monoisotopic Mass:
179.033g/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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