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856086-65-2 | 6,8-Quinolinedisulfonicacid, 5-amino-
CAS No: 856086-65-2 Catalog No: AG004QH6 MDL No:
Product Description
Catalog Number:
AG004QH6
Chemical Name:
6,8-Quinolinedisulfonicacid, 5-amino-
CAS Number:
856086-65-2
Molecular Formula:
C9H8N2O6S2
Molecular Weight:
304.2996
IUPAC Name:
5-aminoquinoline-6,8-disulfonic acid
InChI:
InChI=1S/C9H8N2O6S2/c10-8-5-2-1-3-11-9(5)7(19(15,16)17)4-6(8)18(12,13)14/h1-4H,10H2,(H,12,13,14)(H,15,16,17)
InChI Key:
IGJYTBQWFSFJEH-UHFFFAOYSA-N
SMILES:
Nc1c2cccnc2c(cc1S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.982g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
304.291g/mol
Monoisotopic Mass:
303.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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