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Copper (II) Cyclohexanebutyrate

CAT: 0127-IN11681-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-IN11681-01Size:250 mg
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CAS Number
2218-80-6
Synonyms
Copper;4-cyclohexylbutanoate
Purity
Cu: 15.8%
Smiles
C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Cu+2]

Chemical Information

Cyclohexanebutanoic acid, copper(2+) salt (2:1)
CAS Number2218-80-6
PubChem CID75199
IUPAC Namecopper bis(4-cyclohexylbutanoate)
Molecular FormulaC20H34CuO4
Molecular Weight402.0
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity131
SMILES
C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Cu+2]
InChI
InChI=1S/2C10H18O2.Cu/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
InChIKey
FGUOYHAMMRMUQO-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Cyclohexanebutanoic acid, copper(2+) salt (2:1)
CAS: 2218-80-6
CID: 75199
Formula: C20H34CuO4
MW: 402.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight402.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass401.175307
Monoisotopic Mass401.175307
Topological Polar Surface Area80.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes