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Home > Pyridines > 698999-54-1
698999-54-1 | 3-(2-PYRIDYL)-5,6-BIS(5-SULFO-2-FURYL)-1 ,2,4-TRIAZINE, DINA SALT/XH20
CAS No: 698999-54-1 Catalog No: AG00FE8Z MDL No:MFCD00150606
Product Description
Catalog Number:
AG00FE8Z
Chemical Name:
3-(2-PYRIDYL)-5,6-BIS(5-SULFO-2-FURYL)-1 ,2,4-TRIAZINE, DINA SALT/XH20
CAS Number:
698999-54-1
MDL Number:
MFCD00150606
IUPAC Name:
disodium;5-[3-pyridin-2-yl-6-(5-sulfonatofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate;hydrate
InChI:
InChI=1S/C16H10N4O8S2.2Na.H2O/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9;;;/h1-8H,(H,21,22,23)(H,24,25,26);;;1H2/q;2*+1;/p-2
InChI Key:
DWNJUBCJUHLHGY-UHFFFAOYSA-L
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.968g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
512.375g/mol
Monoisotopic Mass:
511.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
210A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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