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20946-17-2 | 2-Quinolinesulfonic acid, 8-hydroxy-
CAS No: 20946-17-2 Catalog No: AG002K8V MDL No:MFCD00216718
Product Description
Catalog Number:
AG002K8V
Chemical Name:
2-Quinolinesulfonic acid, 8-hydroxy-
CAS Number:
20946-17-2
Molecular Formula:
C9H7NO4S
Molecular Weight:
225.2212
MDL Number:
MFCD00216718
IUPAC Name:
8-hydroxyquinoline-2-sulfonic acid;hydrate
InChI:
InChI=1S/C9H7NO4S.H2O/c11-7-3-1-2-6-4-5-8(10-9(6)7)15(12,13)14;/h1-5,11H,(H,12,13,14);1H2
InChI Key:
NCDVWNIJUCGABM-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1nc(cc2)S(=O)(=O)O
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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