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Calcium Dobesilate Impurity 7

CAT: 1299-RM-D151907-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D151907-01Size:10 mg
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CAS Number
17724-07-1
Synonyms
2,6-dihydroxybenzenesulfonic acid
Molecular Formula
C6H6O5S
Molecular Weight
190.17
Target Alternative Name
Calcium Dobesilate
Product Name Synonym
2,6-dihydroxybenzenesulfonic acid

Chemical Information

2,6-Dihydroxybenzenesulfonic acid

2,6-dihydroxybenzenesulfonic acid is a dihydroxybenzenesulfonic acid that is resorcinol in which the hydrogen ortho- to both of the hydroxy groups is replaced by a sulfonic acid group. It has a role as a metabolite. It is functionally related to a resorcinol.

CAS Number17724-07-1
PubChem CID22673016
IUPAC Name2,6-dihydroxybenzenesulfonic acid
Molecular FormulaC6H6O5S
Molecular Weight190.18
XLogP1.1
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity231
SMILES
C1=CC(=C(C(=C1)O)S(=O)(=O)O)O
InChI
InChI=1S/C6H6O5S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
InChIKey
ZZJVDYQPZOHNIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dihydroxybenzenesulfonic acid
CAS: 17724-07-1
CID: 22673016
Formula: C6H6O5S
MW: 190.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.18
XLogP31.1
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
Complexity231
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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