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Calcium Dobesilate Impurity 18

CAT: 1299-RM-D151918-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D151918-01Size:10 mg
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CAS Number
609-46-1
Synonyms
2-hydroxybenzenesulfonic acid
Molecular Formula
C6H6O4S
Molecular Weight
174.17
Target Alternative Name
Calcium Dobesilate
Product Name Synonym
2-hydroxybenzenesulfonic acid

Chemical Information

o-Phenolsulfonic acid

2-hydroxybenzenesulfonic acid is an arenesulfonic acid that is phenol substituted by a sulfo group at C-2. It has a role as a metabolite. It is functionally related to a phenol.

CAS Number609-46-1
PubChem CID11867
IUPAC Name2-hydroxybenzenesulfonic acid
Molecular FormulaC6H6O4S
Molecular Weight174.18
XLogP0.9
Topological Polar Surface Area83
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity215
SMILES
C1=CC=C(C(=C1)O)S(=O)(=O)O
InChI
InChI=1S/C6H6O4S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4,7H,(H,8,9,10)
InChIKey
IULJSGIJJZZUMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of o-Phenolsulfonic acid
CAS: 609-46-1
CID: 11867
Formula: C6H6O4S
MW: 174.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight174.18
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass173.99867984
Monoisotopic Mass173.99867984
Topological Polar Surface Area83 Ų
Heavy Atom Count11
Formal Charge0
Complexity215
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