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Ethyl 4-oxopentanoate

CAT: 0013-GTR19255042-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255042-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ethyl 4-oxopentanoate is a reagent containing both ester and ketone groups, widely used in biochemical experiments and drug synthesis research.
CAS Number
539-88-8
Purity
98.02% (May vary between batches)
Smiles
O=C (OCC) CCC (=O) C
Molecular Formula
C7H12O3
Molecular Weight
144.17
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

Ethyl levulinate

Ethyl levulinate is an oxo carboxylic acid.

CAS Number539-88-8
PubChem CID10883
IUPAC Nameethyl 4-oxopentanoate
Molecular FormulaC7H12O3
Molecular Weight144.17
XLogP0.1
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
CCOC(=O)CCC(=O)C
InChI
InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChIKey
GMEONFUTDYJSNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl levulinate
CAS: 539-88-8
CID: 10883
Formula: C7H12O3
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass144.078644241
Monoisotopic Mass144.078644241
Topological Polar Surface Area43.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
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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