Calcium Dobesilate Impurity 27

CAT: 1299-RM-D151927-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D151927-01Size:10 mg

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CAS Number

66137-12-0

Synonyms

2,3-dihydroxybenzene-1,4-disulfonic acid

Molecular Formula

C6H6O8S2

Molecular Weight

270.23

Target Alternative Name

Calcium Dobesilate

Product Name Synonym

2,3-dihydroxybenzene-1,4-disulfonic acid

Chemical Information

2,3-Dihydroxybenzene-1,4-disulfonic acid

CAS Number	66137-12-0
PubChem CID	14973954
IUPAC Name	2,3-dihydroxybenzene-1,4-disulfonic acid
Molecular Formula	C6H6O8S2
Molecular Weight	270.2
XLogP	-0.2
Topological Polar Surface Area	166
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	396

SMILES

C1=CC(=C(C(=C1S(=O)(=O)O)O)O)S(=O)(=O)O

InChI

InChI=1S/C6H6O8S2/c7-5-3(15(9,10)11)1-2-4(6(5)8)16(12,13)14/h1-2,7-8H,(H,9,10,11)(H,12,13,14)

InChIKey

IGOLZMUOFFRHPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66137-12-0

CID: 14973954

Formula: C6H6O8S2

MW: 270.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.2
XLogP3	-0.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	269.95040949
Monoisotopic Mass	269.95040949
Topological Polar Surface Area	166 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	396
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-D151923-01	Calcium Dobesilate Impurity 23
RM-D151916-01	Calcium Dobesilate Impurity 16
RM-D151918-01	Calcium Dobesilate Impurity 18

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