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Calcium Dobesilate Impurity 22

CAT: 1299-RM-D151922-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D151922-01Size:10 mg
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CAS Number
88-46-0
Synonyms
Hydroquinonesulfonic acid; 2,5-dihydroxybenzenesulfonic acid
Molecular Formula
C6H6O5S
Molecular Weight
190.17
Target Alternative Name
Calcium Dobesilate
Product Name Synonym
Hydroquinonesulfonic acid; 2,5-dihydroxybenzenesulfonic acid

Chemical Information

2,5-Dihydroxybenzenesulfonic Acid

2,5-dihydroxybenzenesulfonic acid is a dihydroxybenzenesulfonic acid that is hydroquinone in which one of the phenyl hydrogens is substituted by a sulfonic acid group. It has a role as a metabolite. It is a member of hydroquinones and a dihydroxybenzenesulfonic acid. It is functionally related to a hydroquinone.

CAS Number88-46-0
PubChem CID17507
IUPAC Name2,5-dihydroxybenzenesulfonic acid
Molecular FormulaC6H6O5S
Molecular Weight190.18
XLogP-0.1
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity241
SMILES
C1=CC(=C(C=C1O)S(=O)(=O)O)O
InChI
InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
InChIKey
IKQCSJBQLWJEPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dihydroxybenzenesulfonic Acid
CAS: 88-46-0
CID: 17507
Formula: C6H6O5S
MW: 190.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.18
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass189.99359446
Monoisotopic Mass189.99359446
Topological Polar Surface Area103 Ų
Heavy Atom Count12
Formal Charge0
Complexity241
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

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