Diethyl Succinate 99% For Synthesis

CAT: 1507-100600500Size: 500 mLDry Ice: NoHazardous: No

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CAT#:1507-100600500Size:500 mL

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CAS Number

123-25-1

HSN Code

29171990

Chemical Information

Diethyl Succinate

Diethyl succinate is a fatty acid ester.

CAS Number	123-25-1
PubChem CID	31249
IUPAC Name	diethyl butanedioate
Molecular Formula	C8H14O4
Molecular Weight	174.19
XLogP	1.2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	135

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

CAS: 123-25-1

CID: 31249

Formula: C8H14O4

MW: 174.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.19
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	174.08920892
Monoisotopic Mass	174.08920892
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	135
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
104490 500	Diethyl Succinate For Synthesis
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