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Diethyl succinate

CAT: 0013-GTR19166060-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19166060-02Size:1 ml x 10 mM (in DMSO)
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Description
Diethyl succinate is the diethyl ester of succinic acid and should be handled as an irritant. This compound is used as a chemical intermediate in organic synthesis and serves as a substrate in enzymatic studies for in vitro research on esterase activity.
CAS Number
123-25-1
Product Name Alternative
Diethyl, Diethyl Butanedioate, Diethyl succinate, Diethyl Succinate, Inhibitor, inhibit
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Purity
95.86% (May vary between batches)
Solubility
10% DMSO+90% Saline:2.5 mg/mL (14.35 mM) ; DMSO:60 mg/mL (344.45 mM)
Smiles
CCOC (=O) CCC (=O) OCC
Molecular Formula
C8H14O4
Molecular Weight
174.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Diethyl Succinate

Diethyl succinate is a fatty acid ester.

CAS Number123-25-1
PubChem CID31249
IUPAC Namediethyl butanedioate
Molecular FormulaC8H14O4
Molecular Weight174.19
XLogP1.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity135
SMILES
CCOC(=O)CCC(=O)OCC
InChI
InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
InChIKey
DKMROQRQHGEIOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl Succinate
CAS: 123-25-1
CID: 31249
Formula: C8H14O4
MW: 174.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight174.19
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass174.08920892
Monoisotopic Mass174.08920892
Topological Polar Surface Area52.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity135
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