Calcium Dobesilate Impurity 2

CAT: 1299-RM-D151902-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D151902-01Size:10 mg

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CAS Number

2429952-18-9

Synonyms

Methyl 2,5-dihydroxybenzenesulfonate

Molecular Formula

C7H8O5S

Molecular Weight

204.2

Target Alternative Name

Dobesilate

Product Name Synonym

Methyl 2,5-dihydroxybenzenesulfonate

Chemical Information

Methyl 2,5-dihydroxybenzenesulfonate

CAS Number	2429952-18-9
PubChem CID	139035954
IUPAC Name	methyl 2,5-dihydroxybenzenesulfonate
Molecular Formula	C7H8O5S
Molecular Weight	204.20
XLogP	1
Topological Polar Surface Area	92.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	255

SMILES

COS(=O)(=O)C1=C(C=CC(=C1)O)O

InChI

InChI=1S/C7H8O5S/c1-12-13(10,11)7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3

InChIKey

HIENUKMMFKKBPS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2429952-18-9

CID: 139035954

Formula: C7H8O5S

MW: 204.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.20
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	204.00924453
Monoisotopic Mass	204.00924453
Topological Polar Surface Area	92.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	255
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-D151921-01	Calcium Dobesilate Impurity 21
RM-D151913-01	Calcium Dobesilate Impurity 13
RM-D151901-01	Calcium Dobesilate Impurity 1
RM-D151912-01	Calcium Dobesilate Impurity 12
RM-D151914-01	Calcium Dobesilate Impurity 14
RM-D151903-01	Calcium Dobesilate Impurity 3
RM-D151908-01	Calcium Dobesilate Impurity 8
RM-D151927-01	Calcium Dobesilate Impurity 27
RM-D151910-01	Calcium Dobesilate Impurity 10
RM-D151922-01	Calcium Dobesilate Impurity 22

Catalog	Name
AR-D07319-01	Calcium Dobesilate Impurity 14
AR-D07308-01	Calcium Dobesilate Impurity 13
AR-D07315-01	Calcium Dobesilate Impurity 19
AR-D07306-01	Calcium Dobesilate Impurity 12
AR-D07317-01	Calcium Dobesilate Impurity 5
AR-D07325-01	Calcium Dobesilate Impurity 6
AR-D07305-01	Calcium Dobesilate Impurity 11
AR-D07311-01	Calcium Dobesilate Impurity 15
AR-D07324-01	Calcium Dobesilate Impurity 4
AR-D07322-01	Calcium Dobesilate Impurity 2