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59290-82-3 | 3-Nitroisonicotinic acid
CAS No: 59290-82-3 Catalog No: AG003JTE MDL No:MFCD04114244
Product Description
Catalog Number:
AG003JTE
Chemical Name:
3-Nitroisonicotinic acid
CAS Number:
59290-82-3
Molecular Formula:
C6H4N2O4
Molecular Weight:
168.1070
MDL Number:
MFCD04114244
IUPAC Name:
3-nitropyridine-4-carboxylic acid
InChI:
InChI=1S/C6H4N2O4/c9-6(10)4-1-2-7-3-5(4)8(11)12/h1-3H,(H,9,10)
InChI Key:
YKPIUHZVTZWEEW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnccc1C(=O)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.108g/mol
Monoisotopic Mass:
168.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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