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89614-03-9 | 8-hydroxyquinoline-5-sulfonic acid dihydrate
CAS No: 89614-03-9 Catalog No: AG01FPAB MDL No:MFCD00211348
Product Description
Catalog Number:
AG01FPAB
Chemical Name:
8-hydroxyquinoline-5-sulfonic acid dihydrate
CAS Number:
89614-03-9
Molecular Formula:
C9H11NO6S
Molecular Weight:
261.2517
MDL Number:
MFCD00211348
IUPAC Name:
8-hydroxyquinoline-5-sulfonic acid;dihydrate
InChI:
InChI=1S/C9H7NO4S.2H2O/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;;/h1-5,11H,(H,12,13,14);2*1H2
InChI Key:
SKJGYRFBAVRDEV-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1nccc2)S(=O)(=O)O.O.O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
261.248g/mol
Monoisotopic Mass:
261.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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