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3-Ethoxy-3-oxopropanoic acid

CAT: 0013-GTR19168404Size: 1 gDry Ice: NoHazardous: No
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Description
3-Ethoxy-3-oxopropanoic acid (monoethyl malonate) is a solid, water-soluble dicarboxylic acid derivative. It is a weakly acidic compound detected in blood and primarily localized in the cellular cytoplasm. This molecule is utilized in biochemical research, including studies of metabolic pathways and as a synthetic intermediate in organic chemistry.
CAS Number
1071-46-1
Product Name Alternative
3 Ethoxy 3 oxopropanoic acid, 3Ethoxy3oxopropanoic acid, 3-Ethoxy-3-oxopropanoic acid, Monoethyl malonic acid, inhibit, Endogenous Metabolite, EndogenousMetabolite, Ethyl hydrogen malonate, Ethyl hydrogen Malonate, Inhibitor
Field of Research
Metabolism Research
Purity
98.95% (May vary between batches)
Solubility
DMSO:10 mg/mL (75.69 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (7.57 mM)
Smiles
CCOC (=O) CC (O) =O
Molecular Formula
C5H8O4
Molecular Weight
132.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Monoethyl malonate

Monoethyl malonic acid is a dicarboxylic acid.

CAS Number1071-46-1
PubChem CID70615
IUPAC Name3-ethoxy-3-oxopropanoic acid
Molecular FormulaC5H8O4
Molecular Weight132.11
XLogP0.3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity118
SMILES
CCOC(=O)CC(=O)O
InChI
InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
HGINADPHJQTSKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Monoethyl malonate
CAS: 1071-46-1
CID: 70615
Formula: C5H8O4
MW: 132.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.11
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass132.04225873
Monoisotopic Mass132.04225873
Topological Polar Surface Area63.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity118
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
HY-Y1031-013-Ethoxy-3-oxopropanoic acid
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HY-Y1031AR3-Ethoxy-3-oxopropanoic acid (potassium) (Standard)
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