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Idebenone Impurity 7

CAT: 1299-RM-I040507-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I040507-04Size:100 mg
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CAS Number
58185-99-2
Synonyms
10- (4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl) decanoic acid
Molecular Formula
C19H28O6
Molecular Weight
352.43
Target Alternative Name
Idebenone
Product Name Synonym
10- (4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl) decanoic acid

Chemical Information

Idebenone acid
CAS Number58185-99-2
PubChem CID10020898
IUPAC Name10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanoic acid
Molecular FormulaC19H28O6
Molecular Weight352.4
XLogP4.1
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity570
SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCC(=O)O
InChI
InChI=1S/C19H28O6/c1-13-14(17(23)19(25-3)18(24-2)16(13)22)11-9-7-5-4-6-8-10-12-15(20)21/h4-12H2,1-3H3,(H,20,21)
InChIKey
QFHSYPPEQOEFRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Idebenone acid
CAS: 58185-99-2
CID: 10020898
Formula: C19H28O6
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass352.18858861
Monoisotopic Mass352.18858861
Topological Polar Surface Area89.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity570
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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Alternative Products

CatalogName
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AR-I03216-01Idebenone Impurity 7
AR-I03220-01Idebenone Impurity 9
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