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Home > Nitro Compounds > 806601-91-2
806601-91-2 | 1,6-dihydro-5-nitro-6-oxo-3-pyridinesulfonic acid
CAS No: 806601-91-2 Catalog No: AG00G8OU MDL No:
Product Description
Catalog Number:
AG00G8OU
Chemical Name:
1,6-dihydro-5-nitro-6-oxo-3-pyridinesulfonic acid
CAS Number:
806601-91-2
IUPAC Name:
5-nitro-6-oxo-1H-pyridine-3-sulfonic acid
InChI:
InChI=1S/C5H4N2O6S/c8-5-4(7(9)10)1-3(2-6-5)14(11,12)13/h1-2H,(H,6,8)(H,11,12,13)
InChI Key:
FLKXLKXMQGXNRI-UHFFFAOYSA-N
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.155g/mol
Monoisotopic Mass:
219.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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