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Silver Behenate

CAT: 0926-CAA48905-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-CAA48905-01Size:25 g
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CAS Number
2489-05-6
MDL Number
MFCD00059001
Smiles
CCCCCCCCCCCCCCCCCCCCCC (=O) O.[Ag]
Molecular Formula
C22H43AgO2
Molecular Weight
447.45 g/mol
Controlled
No

Chemical Information

Silver behenate
CAS Number2489-05-6
PubChem CID164971
IUPAC Namesilver docosanoate
Molecular FormulaC22H43AgO2
Molecular Weight447.4
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Heavy Atom Count25
Formal Charge0
Complexity245
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ag+]
InChI
InChI=1S/C22H44O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1
InChIKey
AQRYNYUOKMNDDV-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Silver behenate
CAS: 2489-05-6
CID: 164971
Formula: C22H43AgO2
MW: 447.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight447.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Exact Mass446.23140
Monoisotopic Mass446.23140
Topological Polar Surface Area40.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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