Calcium Dobesilate Impurity 26

CAT: 1299-RM-D151926-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D151926-01Size:10 mg

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CAS Number

4753-08-6

Synonyms

2-hydroxy-3-methoxybenzenesulfonic acid

Molecular Formula

C7H8O5S

Molecular Weight

204.2

Target Alternative Name

Calcium Dobesilate

Product Name Synonym

2-hydroxy-3-methoxybenzenesulfonic acid

Chemical Information

2-Hydroxy-3-methoxybenzenesulfonic acid

CAS Number	4753-08-6
PubChem CID	13932641
IUPAC Name	2-hydroxy-3-methoxybenzenesulfonic acid
Molecular Formula	C7H8O5S
Molecular Weight	204.20
XLogP	0.8
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

COC1=C(C(=CC=C1)S(=O)(=O)O)O

InChI

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

InChIKey

MMAFPMQOIUHLNH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4753-08-6

CID: 13932641

Formula: C7H8O5S

MW: 204.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.20
XLogP3	0.8
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