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Cupric cyclohexanebutyrate AAS

CAT: 0286-C27220Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-C27220Size:1 g
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CAS Number
2218-80-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00036399
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

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...
View on PubChemRaw 3D data
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

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