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14933-78-9 | 2-Pyridinecarboxylic acid, 4-nitro-, 1-oxide
CAS No: 14933-78-9 Catalog No: AG001LKY MDL No:MFCD11113380
Product Description
Catalog Number:
AG001LKY
Chemical Name:
2-Pyridinecarboxylic acid, 4-nitro-, 1-oxide
CAS Number:
14933-78-9
Molecular Formula:
C6H4N2O5
Molecular Weight:
184.1064
MDL Number:
MFCD11113380
IUPAC Name:
4-nitro-1-oxidopyridin-1-ium-2-carboxylic acid
InChI:
InChI=1S/C6H4N2O5/c9-6(10)5-3-4(8(12)13)1-2-7(5)11/h1-3H,(H,9,10)
InChI Key:
KKYQRQZYRFVFTG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc[n+](c(c1)C(=O)O)[O-]
EC Number:
239-008-6
NSC Number:
63059
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.107g/mol
Monoisotopic Mass:
184.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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