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156896-47-8 | 3-Pyridinecarboxylic acid, 1,2-dihydro-5-nitro-2-thioxo-
CAS No: 156896-47-8 Catalog No: AG001P1S MDL No:
Product Description
Catalog Number:
AG001P1S
Chemical Name:
3-Pyridinecarboxylic acid, 1,2-dihydro-5-nitro-2-thioxo-
CAS Number:
156896-47-8
Molecular Formula:
C6H4N2O4S
Molecular Weight:
200.1720
IUPAC Name:
5-nitro-2-sulfanylidene-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C6H4N2O4S/c9-6(10)4-1-3(8(11)12)2-7-5(4)13/h1-2H,(H,7,13)(H,9,10)
InChI Key:
YPNMCSQWAWISCQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(=S)c(c1)C(=O)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.168g/mol
Monoisotopic Mass:
199.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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