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Ethyl pivalate

CAT: 0024-sc-358225ASize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-358225ASize:100 g
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CAS Number
3938-95-2

Chemical Information

Ethyl pivalate
CAS Number3938-95-2
PubChem CID19838
IUPAC Nameethyl 2,2-dimethylpropanoate
Molecular FormulaC7H14O2
Molecular Weight130.18
XLogP1.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity100
SMILES
CCOC(=O)C(C)(C)C
InChI
InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3
InChIKey
HHEIMYAXCOIQCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl pivalate
CAS: 3938-95-2
CID: 19838
Formula: C7H14O2
MW: 130.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.18
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass130.099379685
Monoisotopic Mass130.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
E14300-01Ethyl pivalate 99%
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