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Methyl 3-oxopentanoate

CAT: 0013-GTR19248869Size: 100 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19248869Size:100 g
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Description
Methyl 3-oxopentanoate, also known as MEAM, is frequently employed as a building block in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and flavoring agents. It also serves as a reagent in organic reactions, particularly in carbon-carbon bond formation through malonate synthesis. Additionally, researchers are exploring the potential use of Methyl 3-oxopentanoate in developing chiral auxiliaries, compounds that aid in selectively controlling the stereochemistry of chemical reactions.
CAS Number
30414-53-0
Smiles
CCC (=O) CC (=O) OC
Molecular Formula
C6H10O3
Molecular Weight
130.1418
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 3-oxovalerate
CAS Number30414-53-0
PubChem CID121699
IUPAC Namemethyl 3-oxopentanoate
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP0.4
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity117
SMILES
CCC(=O)CC(=O)OC
InChI
InChI=1S/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2H3
InChIKey
XJMIXEAZMCTAGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-oxovalerate
CAS: 30414-53-0
CID: 121699
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass130.062994177
Monoisotopic Mass130.062994177
Topological Polar Surface Area43.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity117
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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