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8-Hydroxyquinoline-5-sulfonic acid

CAT: 0063-78011644Size: 1 gDry Ice: NoHazardous: No
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CAT#:0063-78011644Size:1 g
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CAS Number
84-88-8

Chemical Information

8-Hydroxyquinoline-5-sulfonic acid

RN given refers to parent cpd

CAS Number84-88-8
PubChem CID6792
IUPAC Name8-hydroxyquinoline-5-sulfonic acid
Molecular FormulaC9H7NO4S
Molecular Weight225.22
XLogP1
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity323
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O
InChI
InChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)
InChIKey
LGDFHDKSYGVKDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxyquinoline-5-sulfonic acid
CAS: 84-88-8
CID: 6792
Formula: C9H7NO4S
MW: 225.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight225.22
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass225.00957888
Monoisotopic Mass225.00957888
Topological Polar Surface Area95.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes