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Home > Quinoline > 207386-92-3
207386-92-3 | 5-Quinolinesulfonic acid, 8-hydroxy-, hydrate (1:?)
CAS No: 207386-92-3 Catalog No: AG002J18 MDL No:
Product Description
Catalog Number:
AG002J18
Chemical Name:
5-Quinolinesulfonic acid, 8-hydroxy-, hydrate (1:?)
CAS Number:
207386-92-3
Molecular Formula:
C9H9NO5S
Molecular Weight:
243.2365
IUPAC Name:
8-hydroxyquinoline-5-sulfonic acid;hydrate
InChI:
InChI=1S/C9H7NO4S.H2O/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h1-5,11H,(H,12,13,14);1H2
InChI Key:
WUXYGIQVWKDVTJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1nccc2)S(=O)(=O)O.O
UNII:
N85KC14Z44
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.233g/mol
Monoisotopic Mass:
243.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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