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Calcium Dobesilate Impurity 10

CAT: 1299-RM-D151910-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D151910-01Size:10 mg
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CAS Number
2429952-19-0
Synonyms
Ethyl 2,5-dihydroxybenzenesulfonate
Molecular Formula
C8H10O5S
Molecular Weight
218.23
Target Alternative Name
Dobesilate
Product Name Synonym
Ethyl 2,5-dihydroxybenzenesulfonate

Chemical Information

Ethyl 2,5-dihydroxybenzenesulfonate
CAS Number2429952-19-0
PubChem CID139034224
IUPAC Nameethyl 2,5-dihydroxybenzenesulfonate
Molecular FormulaC8H10O5S
Molecular Weight218.23
XLogP1.4
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity268
SMILES
CCOS(=O)(=O)C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C8H10O5S/c1-2-13-14(11,12)8-5-6(9)3-4-7(8)10/h3-5,9-10H,2H2,1H3
InChIKey
POPRUWSTKFYZAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2,5-dihydroxybenzenesulfonate
CAS: 2429952-19-0
CID: 139034224
Formula: C8H10O5S
MW: 218.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.23
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass218.02489459
Monoisotopic Mass218.02489459
Topological Polar Surface Area92.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity268
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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