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Calcium stearate

CAT: 0063-12453198-1kgSize: 1 KgDry Ice: NoHazardous: No
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CAT#:0063-12453198-1kgSize:1 Kg
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CAS Number
1592-23-0
Molecular Formula
[CH3 (CH2) 16COO]2Ca
Molecular Weight
607.02
Formulation
[CH3 (CH2) 16COO]2Ca

Chemical Information

Calcium Stearate

Calcium stearate is an organic calcium salt of stearic acid. It is a component of some lubricants and surfactants. It contains an octadecanoate.

CAS Number1592-23-0
PubChem CID15324
IUPAC Namecalcium bis(octadecanoate)
Molecular FormulaC36H70CaO4
Molecular Weight607.0
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count30
Heavy Atom Count41
Formal Charge0
Complexity196
SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]
InChI
InChI=1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
InChIKey
CJZGTCYPCWQAJB-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Calcium Stearate
CAS: 1592-23-0
CID: 15324
Formula: C36H70CaO4
MW: 607.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight607.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count30
Exact Mass606.4900016
Monoisotopic Mass606.4900016
Topological Polar Surface Area80.3 Ų
Heavy Atom Count41
Formal Charge0
Complexity196
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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