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Home > Nitro Compounds > 89977-02-6
89977-02-6 | 2,6-Dimethyl-3-nitroisonicotinic acid
CAS No: 89977-02-6 Catalog No: AG01EDX1 MDL No:
Product Description
Catalog Number:
AG01EDX1
Chemical Name:
2,6-Dimethyl-3-nitroisonicotinic acid
CAS Number:
89977-02-6
IUPAC Name:
2,6-dimethyl-3-nitropyridine-4-carboxylic acid
InChI:
InChI=1S/C8H8N2O4/c1-4-3-6(8(11)12)7(10(13)14)5(2)9-4/h3H,1-2H3,(H,11,12)
InChI Key:
BABXDFLBVMULOC-UHFFFAOYSA-N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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