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Clinofibrate

CAT: 0127-BUP10702-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10702-02Size:10 mg
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CAS Number
30299-08-2
Synonyms
S-8527, Lipoclin
Purity
=98%
Smiles
O(C(C(O)=O)(CC)C)C1=CC=C(C2(CCCCC2)C3=CC=C(OC(C(O)=O)(CC)C)C=C3)C=C1

Chemical Information

Clinofibrate

Clinofibrate is an organic molecular entity.

CAS Number30299-08-2
PubChem CID2787
IUPAC Name2-[4-[1-[4-(2-carboxybutan-2-yloxy)phenyl]cyclohexyl]phenoxy]-2-methylbutanoic acid
Molecular FormulaC28H36O6
Molecular Weight468.6
XLogP7.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity633
SMILES
CCC(C)(C(=O)O)OC1=CC=C(C=C1)C2(CCCCC2)C3=CC=C(C=C3)OC(C)(CC)C(=O)O
InChI
InChI=1S/C28H36O6/c1-5-26(3,24(29)30)33-22-14-10-20(11-15-22)28(18-8-7-9-19-28)21-12-16-23(17-13-21)34-27(4,6-2)25(31)32/h10-17H,5-9,18-19H2,1-4H3,(H,29,30)(H,31,32)
InChIKey
BMOVQUBVGICXQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clinofibrate
CAS: 30299-08-2
CID: 2787
Formula: C28H36O6
MW: 468.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.6
XLogP37.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass468.25118886
Monoisotopic Mass468.25118886
Topological Polar Surface Area93.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-13528-01Clinofibrate

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