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Calcium Dobesilate Impurity 13

CAT: 1299-RM-D151913-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D151913-01Size:10 mg
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CAS Number
1205-91-0
Synonyms
1,4-phenylene diacetate
Molecular Formula
C10H10O4
Molecular Weight
194.19
Target Alternative Name
Calcium Dobesilate
Product Name Synonym
1,4-phenylene diacetate

Chemical Information

Hydroquinone diacetate
CAS Number1205-91-0
PubChem CID71006
IUPAC Name(4-acetyloxyphenyl) acetate
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP1.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity192
SMILES
CC(=O)OC1=CC=C(C=C1)OC(=O)C
InChI
InChI=1S/C10H10O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3-6H,1-2H3
InChIKey
AKOGNYJNGMLDOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroquinone diacetate
CAS: 1205-91-0
CID: 71006
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity192
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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