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Tetrabutylphosphonium acetate

CAT: 0127-OR1067361-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1067361-01Size:1 g
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CAS Number
30345-49-4
MDL Number
MFCD00050247
Purity
98%
Smiles
CCCC[P+] (CCCC) (CCCC) CCCC.CC ([O-]) =O

Chemical Information

Tetrabutylphosphonium acetate
CAS Number30345-49-4
PubChem CID121674
IUPAC Nametetrabutylphosphanium acetate
Molecular FormulaC18H39O2P
Molecular Weight318.5
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count21
Formal Charge0
Complexity142
SMILES
CCCC[P+](CCCC)(CCCC)CCCC.CC(=O)[O-]
InChI
InChI=1S/C16H36P.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKey
GFZMLBWMGBLIDI-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Tetrabutylphosphonium acetate
CAS: 30345-49-4
CID: 121674
Formula: C18H39O2P
MW: 318.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass318.26876748
Monoisotopic Mass318.26876748
Topological Polar Surface Area40.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity142
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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